SCHEMBL635677

SCHEMBL635677

CN=C(CCCC(Cn1cc(C(=O)O)c2nc3c(C)cccc3cc2c1=O)=NC)Cn1cc(C(=O)O)c2nc3c(C)cccc3cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
CASP1 P29466 5/20 0.36
CASP7 P55210 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 5/20 0.36
HSD17B10 Q99714 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.34
PABPC1 P11940 1/20 0.34
ATM Q13315 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.32

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 0.82 KMT2A (0.44) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL634442 0.81 L3MBTL1 (0.43) KDM4ECASP1CASP7ALDH1A1MAPT
SCHEMBL632020 0.81 CNR2 (0.39) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL634900 0.81 KDM4E (0.45) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL634012 0.80 KDM4E (0.40) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL635676 0.79 KDM4E (0.37) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL635404 0.79 PTGDR2 (0.39) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL635605 0.78 TNF (0.52)
SCHEMBL634087 0.76 KDM4E (0.41) KDM4ECASP1CASP7ALDH1A1HPGD
SCHEMBL30122318 0.76 KDM4E (0.41) KDM4ECASP1CASP7ALDH1A1HPGD

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 KDM4E 744/4885CASP1 87/4885CASP7 21/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885CASP1 100/4885CASP7 29/4885

“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.