SCHEMBL8089097

SCHEMBL8089097

CCCc1cc(-c2cccc(N)n2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
ASIC3 Q9UHC3 1/20 0.44
PDPK1 O15530 1/20 0.43
NOS1 P29475 9/20 0.39
NOS3 P29474 5/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
LARS1 Q9P2J5 1/20 0.37
BRS3 P32247 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL8096636 0.79 GABRA1 (0.59) ALOX5ESR1ESR2ASIC3PDPK1
SCHEMBL6702831 0.77 NOS1 (0.39) ASIC3PDPK1NOS1NOS3IRAK4
SCHEMBL5127450 0.76 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL30250904 0.76 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL6585551 0.75 NOS1 (0.60) ALOX5NOS1NOS3GABRA1GABRB2
SCHEMBL7073864 0.74 NOS1 (0.47) NOS1NOS3GABRA1GABRB2
SCHEMBL8082378 0.74 NOS1 (0.57) NOS1NOS3
SCHEMBL1023623 0.72 ALOX5 (0.58) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL7078300 0.71 NOS1 (0.38) NOS1NOS3
SCHEMBL9198775 0.70 ALOX5 (0.60) ALOX5ESR1ESR2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 ALOX5 1646/4885ESR1 3310/4885ESR2 2398/4885

“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.