SCHEMBL635603

SCHEMBL635603

COc1ccc2cc3c(=O)n(C)cc(C(=O)O)c3nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CREBBP Q92793 2/20 0.44
ALPG P10696 1/20 0.44
LMNA P02545 2/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL634185 0.81 KDM4E (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL634915 0.81 RAD52 (0.54) KDM4EALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL7568147 0.72 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL634087 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30122318 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL31055812 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7064360 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL2945200 0.71 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28532626 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL634245 0.71 BRD4 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA

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 KDM4E 744/4885ALDH1A1 657/4885HPGD 835/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885ALDH1A1 649/4885HPGD 830/4885

“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.