SCHEMBL7047825

SCHEMBL7047825

Cc1[c]cc2c(c1)OCO2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK9 P45984 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTR1A P08908 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2205252 0.86 ALDH1A1 (0.35) ALDH1A1ATMKDM4EMAPTNPC1
SCHEMBL717364 0.73 CYP3A4 (0.35) CYP3A4ALDH1A1MAPK1ATMABCG2
SCHEMBL789550 0.73 CYP3A4 (0.35) CYP3A4ALDH1A1MAPK1ATMABCG2
SCHEMBL3113441 0.73 CYP3A4 (0.35) CYP3A4ALDH1A1MAPK1ATMABCG2
SCHEMBL11789243 0.73 MEN1 (0.37) CYP3A4ALDH1A1MAPK1ABCG2MAPT
SCHEMBL1096290 0.73 CYP3A4 (0.35) CYP3A4ALDH1A1MAPK1ATMABCG2
SCHEMBL4403183 0.72 LMNA (0.41) CYP3A4ALDH1A1MAPK1ATMMAPT
SCHEMBL27673474 0.72 TAAR1 (0.36) CYP3A4ALDH1A1ATMKDM4EMAPT
SCHEMBL8005199 0.69 CYP3A4 (0.44) CYP3A4ALDH1A1ATMABCG2KDM4E
SCHEMBL596866 0.68 PRKCI (0.37) MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315714-A2 QUINAZOLINE DERIVATIVES AS ALPHA-1 ADRENERGIC ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1296952-A1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-02 EP disclosed
US-20020045614-A1 Quinazoline derivatives as alpha-1 adrenergic antagonists SYNTEX (U.S.A.) LLC 2002-04-18 US disclosed
WO-2002018348-A2 QUINAZOLINE DERIVATIVES AS ALPHA-1 ADRENERGIC ANTAGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
WO-2002002527-A1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-01-10 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-20020045614-A1 Quinazoline derivatives as alpha-1 adrenergic antagonists ADRB1, ADRA1B, ADRA1D CYP3A4 422/4885ALDH1A1 211/4885MAPK1 633/4885

“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.