SCHEMBL8096636

SCHEMBL8096636

C=CCc1cc(-c2cccc(N)n2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.59
GABRB2 P47870 7/20 0.59
AKR1B1 P15121 1/20 0.55
POLB P06746 2/20 0.49
ALOX5 P09917 2/20 0.49
CNR2 P34972 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GABRB1 P18505 1/20 0.49
RXRA P19793 1/20 0.49
CNR1 P21554 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
ASIC3 Q9UHC3 1/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL6702831 0.81 NOS1 (0.39) GABRA1GABRB2AKR1B1ASIC3PDPK1
SCHEMBL8089097 0.79 ALOX5 (0.48) GABRA1GABRB2ALOX5ASIC3PDPK1
SCHEMBL29892631 0.77 GABRA1 (1.00) GABRA1GABRB2AKR1B1POLBALOX5
SCHEMBL252293 0.77 GABRA1 (1.00) GABRA1GABRB2AKR1B1POLBALOX5
SCHEMBL219308 0.76 NOS1 (0.55) GABRA1GABRB2ALOX5CNR2NOS3
SCHEMBL9311059 0.73 GABRA1 (0.92) GABRA1GABRB2AKR1B1POLBALOX5
SCHEMBL7072944 0.73 FEN1 (0.37) GABRA1GABRB2AKR1B1
SCHEMBL2185735 0.72 GABRA1 (0.82) GABRA1GABRB2AKR1B1POLBALOX5
SCHEMBL13978637 0.72 AKR1B1 (0.70) GABRA1GABRB2AKR1B1POLBALOX5
SCHEMBL3819967 0.71 GABRA1 (0.68) GABRA1GABRB2AKR1B1POLBALOX5

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 GABRA1 187/4885GABRB2 170/4885AKR1B1 73/4885

“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.