SCHEMBL10150896

SCHEMBL10150896

Cc1ncc(-n2cc(C)c3ccccc32)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.37
KDM4E B2RXH2 2/20 0.36
NQO2 P16083 1/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
ENPP1 P22413 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TFPI2 P48307 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
GPR3 P46089 1/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL13155129 0.82 ATP4A (0.37) ATP4AATP4BMEN1KMT2AGPR3
SCHEMBL28419807 0.71 SLC6A2 (0.45) SLC6A2KDM4ENQO2ATP4AATP4B
SCHEMBL19329297 0.69 POLB (0.49) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL18117387 0.69 CDK5 (0.33)
SCHEMBL1881442 0.69 NR4A2 (0.51) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL11096354 0.68 CYP2E1 (0.51) SLC6A2
SCHEMBL10121079 0.68 ATP4A (0.35) ATP4AATP4BMEN1KMT2AGPR3
SCHEMBL8170195 0.67 ATP4A (0.48) SLC6A2KDM4ENQO2ATP4AATP4B
SCHEMBL14255224 0.67 SLC6A2 (0.55) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL14259404 0.67 SLC6A2 (0.48) SLC6A2KDM4ENQO2ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 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 (6 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SLC6A2 4023/4885KDM4E 553/4885NQO2 786/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SLC6A2 4023/4885KDM4E 553/4885NQO2 786/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SLC6A2 2574/4885KDM4E 1193/4885NQO2 909/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SLC6A2 4023/4885KDM4E 553/4885NQO2 786/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SLC6A2 4023/4885KDM4E 553/4885NQO2 786/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SLC6A2 4023/4885KDM4E 553/4885NQO2 786/4885

“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.