SCHEMBL1986473

SCHEMBL1986473

Cc1cc(NC(=O)C2COc3ccccc3O2)ccc1-c1ccnc2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
POLB P06746 3/20 0.55
KDM4E B2RXH2 2/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 5/20 0.54
MDM2 Q00987 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PABPC1 P11940 1/20 0.52
APOBEC3A P31941 1/20 0.52

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
SCHEMBL1989017 0.85 ROCK2 (0.65) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL1987268 0.84 RAB9A (0.61) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL1987143 0.81 ROCK2 (0.72) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL12603098 0.80 MAPT (0.52) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL1992678 0.79 MAPT (0.52) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL1991762 0.79 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL24324813 0.76 NPC1 (0.67) NPC1RAB9AKMT2AL3MBTL1SMN1; SMN2
SCHEMBL1988374 0.76 ROCK2 (0.62) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL12561553 0.76 ROCK2 (0.73) NPC1RAB9AKMT2AL3MBTL1SMN1; SMN2
SCHEMBL1985410 0.75 NPC1 (0.64) NPC1RAB9AKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 NPC1 3662/4885RAB9A 619/4885KMT2A 4576/4885

“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.