SCHEMBL634696

SCHEMBL634696

Cc1cccc2cc3c(=O)n(C(C)c4ccccc4)cc(C(=O)O)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 5/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
ATM Q13315 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MET P08581 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.35

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
SCHEMBL634695 1.00 BRD4 (0.41) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL4103482 0.89 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL632021 0.86 KDM4E (0.39) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635811 0.84 RAD52 (0.46) BRD4KDM4EHSD17B10ALDH1A1HTT
SCHEMBL635810 0.84 RAD52 (0.46) BRD4KDM4EHSD17B10ALDH1A1HTT
SCHEMBL30122318 0.83 KDM4E (0.41) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL634087 0.83 KDM4E (0.41) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL635071 0.81 KDM4E (0.52) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635320 0.78 KMT2A (0.44) BRD4KDM4ECASP1CASP7HSD17B10
SCHEMBL634012 0.76 KDM4E (0.40) KDM4ECASP1CASP7HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 US 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 (2 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI BRD4 191/4885KDM4E 744/4885CASP1 87/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI BRD4 196/4885KDM4E 880/4885CASP1 100/4885

“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.