SCHEMBL1987101

SCHEMBL1987101

O=C(Nc1ccc(-c2ccncc2)cc1)C1Cc2ccc3ccccc3c2O1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 10/20 0.60
NFKB2 Q00653 10/20 0.60
RELA Q04206 10/20 0.60
ROCK2 O75116 3/20 0.55
AKT1 P31749 1/20 0.55
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
NPY5R Q15761 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ROCK1 Q13464 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1986242 0.84 ROCK2 (0.69) NFKB1NFKB2RELAROCK2AKT1
SCHEMBL1988576 0.83 ROCK2 (0.59) NFKB1NFKB2RELAROCK2AKT1
SCHEMBL1987178 0.82 ROCK2 (0.69) NFKB1NFKB2RELAROCK2AKT1
SCHEMBL24193393 0.74 NFKB1 (0.56) NFKB1NFKB2RELAMAPTSMN1; SMN2
SCHEMBL1987882 0.72 ROCK2 (0.79) ROCK2AKT1RAB9ALMNANPC1
SCHEMBL1986233 0.71 ROCK2 (1.00) ROCK2AKT1RAB9ALMNANPC1
SCHEMBL1988406 0.71 ROCK2 (1.00) ROCK2AKT1RAB9ALMNANPC1
SCHEMBL4522482 0.66 MAPT (0.50) ROCK2AKT1RAB9ALMNANPC1
SCHEMBL4524945 0.66 HDAC8 (0.53) ROCK2AKT1ROCK1MEN1KMT2A
SCHEMBL4522235 0.66 HDAC8 (0.53) ROCK2AKT1ROCK1MEN1KMT2A

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
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 NFKB1 2921/4885NFKB2 2904/4885RELA 2459/4885

“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.