SCHEMBL10078887

SCHEMBL10078887

CC(C)(C)c1csc(NC(=O)Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
MAPK1 P28482 4/20 1.00
RAB9A P51151 4/20 1.00
ALDH1A1 P00352 4/20 1.00
NPC1 O15118 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
POLB P06746 2/20 1.00
CCR4 P51679 1/20 0.64
MAPT P10636 4/20 0.62
ADORA3 P0DMS8 2/20 0.62
LMNA P02545 5/20 0.58
ROCK1 Q13464 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HTT P42858 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.56

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
SCHEMBL14014120 0.89 RAB9A (0.80) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL20788543 0.88 NPC1 (0.77) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL22103784 0.86 RAB9A (0.76) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL13234609 0.84 KMT2A (0.71) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL13234810 0.82 NPC1 (0.69) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL77442 0.81 KMT2A (0.68) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL77592 0.81 SMN1; SMN2 (0.77) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL18236206 0.81 RAB9A (0.74) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL3790984 0.80 NPC1 (0.66) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL77064 0.79 KMT2A (0.70) MEN1KMT2AMAPK1RAB9AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-10301255-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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 (5 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-10301255-B2 Hepatitis B antiviral agents HAVCR2, ZC3HAV1, SLC10A1 MEN1 4464/4885KMT2A 2231/4885MAPK1 2055/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 MEN1 4464/4885KMT2A 2231/4885MAPK1 2055/4885
US-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 MEN1 4133/4885KMT2A 2729/4885MAPK1 1550/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 MEN1 938/4885KMT2A 663/4885MAPK1 2690/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 MEN1 4133/4885KMT2A 2729/4885MAPK1 1550/4885

“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.