SCHEMBL4098897

SCHEMBL4098897

Brc1ccccc1-c1cc[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
PBRM1 Q86U86 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MPI P34949 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.36
KMT2A Q03164 2/20 0.34
C1R P00736 1/20 0.34
RAB9A P51151 4/20 0.33

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
SCHEMBL22551154 0.85 ABCG2 (0.42) IDO1PBRM1LMNAHSD17B10ALDH1A1
SCHEMBL11624680 0.75 IDO1 (0.53) IDO1LMNAHSD17B10ALDH1A1MAPK1
SCHEMBL206363 0.75 IDO1 (0.53) IDO1PBRM1LMNAHSD17B10ALDH1A1
SCHEMBL2277157 0.75 IDO1 (0.53) IDO1ALDH1A1DCUN1D1RAB9ANPC1
SCHEMBL1176838 0.75 METAP2 (0.30)
SCHEMBL30497931 0.75 IDO1 (0.53) IDO1ALDH1A1DCUN1D1RAB9ANPC1
SCHEMBL6693198 0.75 DCUN1D1 (0.41) IDO1HSD17B10ALDH1A1MAPK1DCUN1D1
SCHEMBL1857660 0.75 IDO1 (0.53) IDO1HSD17B10ALDH1A1DCUN1D1MAPT
SCHEMBL3252001 0.75 IDO1 (0.55) IDO1HSD17B10ALDH1A1DCUN1D1NR1H2
SCHEMBL6349171 0.75 POLB (0.31) LMNAALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102458543-A Dry powder inhalers 3M INNOVATIVE PROPERTIES CO 2012-05-16 CN claimed
CN-113166140-B CDK8/19 inhibitors 拜奥卡德联合股份公司 2024-06-14 CN disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 CN disclosed
CN-113166140-A CDK8/19 inhibitors 拜奥卡德联合股份公司 2021-07-23 CN disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
CN-112079780-A Bipyrazole compound and preparation method thereof 怀化学院 2020-12-15 CN disclosed
CN-111747988-A Organic electroluminescent material and device 环球展览公司 2020-10-09 CN disclosed
CN-109651443-A Electroluminescent organic material and device 环球展览公司 2019-04-19 CN disclosed
CN-104093715-A 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD 2014-10-08 CN disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040170547-A1 Process for removing metals from liquids BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US disclosed
WO-2004052286-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 WO disclosed
WO-2004052488-A2 PROCESS FOR REMOVING METALS FROM LIQUIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed
CN-1049658-C Pyrazolo[4,3-c]pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST MARION ROUSSEL INC (US) 2000-02-23 CN disclosed
CN-1099033-A Pyrazolo [4,3-c] pyridine, their preparation method and as the purposes of serotonin reuptake inhibitors HOECHST ROUSSEL PHARMA (US) 1995-02-22 CN disclosed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 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 (3 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG IDO1 59/4885PBRM1 1919/4885LMNA 4759/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES IDO1 2388/4885PBRM1 3642/4885LMNA 2591/4885
US-20040170547-A1 Process for removing metals from liquids AP2M1, AP2A1, AP2A2 IDO1 2909/4885PBRM1 510/4885LMNA 2504/4885

“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.