SCHEMBL4080439

SCHEMBL4080439

Cc1cc(C(N)=O)ccc1-c1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
HSD17B1 P14061 1/20 0.46
NSD2 O96028 2/20 0.44
BRD4 O60885 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
ADH5 P11766 2/20 0.42
ERN1 O75460 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR1D P28221 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
RARB P10826 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAPK14 Q16539 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL12607518 0.88 MAPK14 (0.50) PARP10PARP3NSD2BRD4BRD9
SCHEMBL2562028 0.86 ALDH1A1 (0.56) HSD17B1ADH5ALDH1A1RARBAKR1C3
SCHEMBL1788747 0.84 TRIM24 (0.50) PARP10PARP3NSD2BRD4ERN1
SCHEMBL30753307 0.82 HSD17B1 (0.42) PARP10PARP3HSD17B1NSD2BRD4
SCHEMBL27276068 0.82 HSD17B1 (0.42) PARP10PARP3HSD17B1NSD2BRD4
SCHEMBL1347851 0.81 ERN1 (0.49) BRD4ERN1AKR1C3AKR1C2PARP1
SCHEMBL2026285 0.80 ESR2 (0.55) HSD17B1ALDH1A1MKNK1MKNK2RARB
SCHEMBL17158362 0.79 ALDH1A1 (0.56) HSD17B1ADH5ERN1ALDH1A1RARB
SCHEMBL27358857 0.79 PARP10 (0.43) PARP10PARP3ERN1HTR1DMKNK1
SCHEMBL9541786 0.79 PARP1 (0.52) PARP10HSD17B1NSD2BRD4BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 PARP10 2147/4885PARP3 2986/4885HSD17B1 2093/4885

“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.