SCHEMBL4429575

SCHEMBL4429575

COC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
BRD4 O60885 2/20 0.54
BRD2 P25440 1/20 0.54
BRD3 Q15059 1/20 0.54
BRDT Q58F21 1/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL4817512 0.88 CNR1 (0.59) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL1137191 0.87 BRD4 (0.70) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4984011 0.86 MAPT (0.59) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4983592 0.85 BRD4 (0.67) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4992963 0.85 BRD4 (0.60) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4995076 0.84 KDM4E (0.56) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4437360 0.83 BRD4 (0.56) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL12120841 0.81 KDM4E (0.53) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4425995 0.81 MAPT (0.56) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL4992274 0.81 MAPT (0.78) KDM4EALDH1A1BRD4BRD2BRD3

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
WO-2010140835-A2 NOVEL PYRIDONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATING CANCER 연세대학교 산학협력단 (KR) 2010-12-09 WO disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 KDM4E 2635/4885ALDH1A1 1639/4885BRD4 2776/4885

“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.