SCHEMBL4011672

SCHEMBL4011672

Cc1c(C(=O)C=CN(C)C)sc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 3/20 0.47
ALDH1A1 P00352 10/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NCOA1 Q15788 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
LATS1 O95835 1/20 0.43
MAPT P10636 7/20 0.43

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
SCHEMBL4011666 1.00 HTT (0.49) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL3925107 0.77 ALDH1A1 (0.52) HTTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5096985 0.74 POLB (0.49) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL5096975 0.74 POLB (0.49) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL1813746 0.73 ALDH1A1 (0.72) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL717339 0.71 ALDH1A1 (0.53) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL16845783 0.70 HTT (0.58) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL4736633 0.70 HTT (0.58) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL6363704 0.70 HTT (0.58) HTTPOLBALDH1A1RAB9ANPC1
SCHEMBL14041605 0.70 HTT (0.58) HTTPOLBALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044061-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2009-04-08 EP disclosed
WO-2008011560-A2 BENZOTHIOPHENE INHIBITORS OF RHO KINASE KAHRAMAN MEHMET (US) 2008-01-24 WO disclosed
US-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE Kahraman, Mehmet (US) 2008-01-24 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 (1 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-20080021026-A1 BENZOTHIOPHENE INHIBITORS OF RHO KINASE RHOT2, ROCK2, ROCK1 HTT 2006/4885POLB 3413/4885ALDH1A1 3500/4885

“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.