SCHEMBL632020

SCHEMBL632020

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 6/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.39
ATM Q13315 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLR1A O95602 4/20 0.38
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL635676 0.92 KDM4E (0.37) CNR2KDM4ECASP1CASP7HSD17B10
SCHEMBL634012 0.89 KDM4E (0.40) CNR2KDM4ECASP1CASP7HSD17B10
SCHEMBL634104 0.88 POLR1A (0.50) KDM4EHSD17B10HTTALDH1A1POLR1A
SCHEMBL634900 0.87 KDM4E (0.45) CNR2KDM4ECASP1CASP7HSD17B10
SCHEMBL635320 0.86 KMT2A (0.44) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634992 0.85 RAD52 (0.47) CNR2KDM4EALDH1A1POLR1AECE1
SCHEMBL634412 0.83 POLR1A (0.48) KDM4EHSD17B10HTTALDH1A1POLR1A
SCHEMBL30122318 0.83 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634087 0.83 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635404 0.83 PTGDR2 (0.39) 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 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 CNR2 303/4885KDM4E 744/4885CASP1 87/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI CNR2 359/4885KDM4E 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.