SCHEMBL10147704

SCHEMBL10147704

CCc1nc2c([nH]1)-c1ccc(C)cc1OC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.33
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
TERT O14746 1/20 0.32
CYP19A1 P11511 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TGFBR1 P36897 2/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL18948587 0.87 MAOB (0.34) CYP19A1TGFBR1KMT2AMAPTKDM4E
SCHEMBL17019677 0.86 PARP1 (0.39) ESRRBESRRANPSR1L3MBTL1
SCHEMBL19521602 0.83 MEN1 (0.33) ESRRBESRRACYP19A1NPSR1L3MBTL1
SCHEMBL2756729 0.83 MMP12 (0.36) MMP12TERTCYP19A1MAPTKDM4E
SCHEMBL10141772 0.78 CYP19A1 (0.35) MMP12TERTCYP19A1MAPTKDM4E
SCHEMBL10141065 0.78 TGFBR1 (0.37) MMP12TERTCYP19A1TGFBR1KDM4E
SCHEMBL15747117 0.76 PARP1 (0.39) ESRRBESRRA
SCHEMBL19883189 0.75 ESRRB (0.31) ESRRBESRRA
SCHEMBL10147709 0.75 PARP10 (0.41) NPSR1L3MBTL1TGFBR1KMT2AMAPT
SCHEMBL15747192 0.74 GRM5 (0.33) L3MBTL1MAPTKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 MMP12 3325/4885ESRRB 3089/4885ESRRA 3388/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 MMP12 2994/4885ESRRB 1093/4885ESRRA 683/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 MMP12 3344/4885ESRRB 3116/4885ESRRA 3449/4885

“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.