SCHEMBL799900

SCHEMBL799900

CC(C)(C)c1nc(-c2ccccc2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SREBF2 Q12772 1/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
CYP3A4 P08684 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
BRCA1 P38398 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19625332 0.96 RAB9A (0.58) ALDH1A1SREBF2KMT2AMEN1RAB9A
SCHEMBL12282550 0.85 RAB9A (0.54) ALDH1A1SREBF2KMT2AMEN1RAB9A
SCHEMBL12490609 0.85 KDM4E (0.54) KMT2AMEN1RAB9AKDM4ENPC1
SCHEMBL12868318 0.82 ATP4A (0.55) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL19625300 0.81 RAB9A (0.56) ALDH1A1SREBF2KMT2AMEN1RAB9A
SCHEMBL12282347 0.81 LTA4H (0.58) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL533851 0.81 GAA (0.40) ALDH1A1SREBF2KMT2AMEN1RAB9A
SCHEMBL19625353 0.81 ATP4A (0.49) ALDH1A1SREBF2KMT2AMEN1RAB9A
SCHEMBL799889 0.81 RAB9A (0.56) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL26014382 0.81 RAB9A (0.58) ALDH1A1KMT2AMEN1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208927-A1 WNT SIGNALING PATHWAY INHIBITORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE 2024-06-27 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-11655233-B2 WNT signaling pathway inhibitors for treatments of disease UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-23 US disclosed
US-11655233-B2 WNT signaling pathway inhibitors for treatments of disease UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-23 US disclosed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US disclosed
US-10882841-B2 Wnt signaling pathway inhibitors for treatments of disease UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-01-05 US disclosed
US-20200392259-A1 ORTHOMETALLATED CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION AND COPOLYMERIZATION ARZOUMANIDIS GREGORY G (US) 2020-12-17 US disclosed
US-20200299261-A1 WNT SIGNALING PATHWAY INHIBITORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10882841-B2 Wnt signaling pathway inhibitors for treatments of disease WNT1, CTNNB1, WNT3A ALDH1A1 4413/4885SREBF2 125/4885KMT2A 4305/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ALDH1A1 3864/4885SREBF2 3136/4885KMT2A 4411/4885
US-20200299261-A1 WNT SIGNALING PATHWAY INHIBITORS FOR TREATMENTS OF DISEASE WNT1, CTNNB1, WNT3A ALDH1A1 4413/4885SREBF2 125/4885KMT2A 4305/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ ALDH1A1 3464/4885SREBF2 4531/4885KMT2A 3526/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS ALDH1A1 4217/4885SREBF2 3291/4885KMT2A 4324/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885SREBF2 1574/4885KMT2A 4200/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 ALDH1A1 2109/4885SREBF2 4581/4885KMT2A 3734/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA ALDH1A1 672/4885SREBF2 464/4885KMT2A 3518/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP ALDH1A1 3864/4885SREBF2 3136/4885KMT2A 4411/4885
US-11655233-B2 WNT signaling pathway inhibitors for treatments of disease WNT1, CTNNB1, WNT3A ALDH1A1 4413/4885SREBF2 125/4885KMT2A 4305/4885
US-20240208927-A1 WNT SIGNALING PATHWAY INHIBITORS FOR TREATMENTS OF DISEASE WNT1, CTNNB1, WNT3A ALDH1A1 4413/4885SREBF2 125/4885KMT2A 4305/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1032/4885SREBF2 4346/4885KMT2A 3473/4885
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 ALDH1A1 963/4885SREBF2 1249/4885KMT2A 180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.