SCHEMBL426968

SCHEMBL426968

C=CC(C)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
MAPT P10636 5/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP2C19 P33261 2/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
RECQL P46063 1/20 0.52
ERN1 O75460 1/20 0.49
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL102131 0.82 GPR35 (0.64) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL430230 0.76 CYP1A2 (0.42) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL430231 0.76 CYP1A2 (0.42) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL14450027 0.76 GPR35 (0.67) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL6905688 0.76 GPR35 (0.56) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL21634463 0.76 ERN1 (0.51) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL8644420 0.75 GPR35 (0.64) GPR35MAPTKMT2AMEN1CYP2C9
SCHEMBL5257506 0.74 CYP1A2 (0.41) MAPTKMT2AMEN1CYP1A2TDP1
SCHEMBL5257494 0.74 CYP1A2 (0.41) MAPTKMT2AMEN1CYP1A2TDP1
SCHEMBL251366 0.74 GABRA1 (0.68) MAPTKMT2AMEN1CYP2C9CYP1A2

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE GPR35 1369/4885MAPT 1090/4885KMT2A 894/4885

“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.