SCHEMBL4720566

SCHEMBL4720566

CCOC(=O)c1ncccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
TDP2 O95551 3/20 0.45
PDE4A P27815 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ELANE P08246 1/20 0.42
MAPT P10636 2/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL25312236 0.83 BRD4 (0.43) BRD4TDP2ALDH1A1CYP1A2TSHR
SCHEMBL2561503 0.82 L3MBTL1 (0.57) BRD4ALDH1A1HTTKDM4ETRIM24
SCHEMBL108857 0.80 BRD4 (0.63) BRD4TDP2PDE4ACYP1A2TSHR
SCHEMBL29396522 0.79 BRD4 (0.61) BRD4TDP2PDE4AALDH1A1CYP1A2
SCHEMBL1240286 0.79 BRD4 (0.61) BRD4TDP2PDE4AALDH1A1CYP1A2
SCHEMBL29870373 0.79 BRD4 (0.61) BRD4TDP2PDE4AALDH1A1CYP1A2
SCHEMBL28472394 0.79 BRD4 (0.61) BRD4TDP2PDE4ACYP1A2TSHR
SCHEMBL1737254 0.79 BRD4 (0.61) BRD4TDP2PDE4AALDH1A1CYP1A2
SCHEMBL5192649 0.78 TRIM24 (0.42) ALDH1A1KDM4ETRIM24TRIM33ELANE
SCHEMBL1187172 0.78 BRD4 (0.60) BRD4TDP2PDE4AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551828-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1551828-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2008-01-23 EP disclosed
US-6933312-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2005-08-23 US disclosed
EP-1551828-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2005-07-13 EP disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 US disclosed
WO-2004031178-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2004-04-15 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-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 BRD4 1051/4885TDP2 1091/4885PDE4A 3351/4885

“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.