SCHEMBL635404

SCHEMBL635404

Cc1cccc2cc3c(=O)n(CC(F)(F)F)cc(C(=O)O)c3nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
ATM Q13315 6/20 0.37
KDM4E B2RXH2 7/20 0.37
CASP1 P29466 5/20 0.37
CASP7 P55210 5/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HTT P42858 2/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
ABCC4 O15439 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
HPGD P15428 2/20 0.35
RAB9A P51151 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
SCHEMBL635320 0.89 KMT2A (0.44) ATMKDM4ECASP1CASP7MAPT
SCHEMBL634012 0.84 KDM4E (0.40) ATMKDM4ECASP1CASP7MAPT
SCHEMBL634314 0.83 RAD52 (0.45) KDM4EHSD17B10HTTALDH1A1
SCHEMBL632020 0.83 CNR2 (0.39) ATMKDM4ECASP1CASP7MAPT
SCHEMBL634900 0.83 KDM4E (0.45) ATMKDM4ECASP1CASP7MAPT
SCHEMBL634442 0.81 L3MBTL1 (0.43) ATMKDM4ECASP1CASP7MAPT
SCHEMBL634087 0.80 KDM4E (0.41) ATMKDM4ECASP1CASP7MAPT
SCHEMBL30122318 0.80 KDM4E (0.41) ATMKDM4ECASP1CASP7MAPT
SCHEMBL635676 0.79 KDM4E (0.37) ATMKDM4ECASP1CASP7MAPT
SCHEMBL635842 0.79 KDM4E (0.61) KDM4ECASP1CASP7MAPTHSD17B10

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
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US claimed
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 PTGDR2 1766/4885ATM 4396/4885KDM4E 744/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI PTGDR2 1911/4885ATM 4128/4885KDM4E 880/4885

“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.