SCHEMBL635457

SCHEMBL635457

Cc1cccc2cc3c(=O)n(CCCN4CCCC4=O)cc(C(=O)NCCN(C)C)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
AOX1 Q06278 1/20 0.43
POLB P06746 1/20 0.42
RCE1 Q9Y256 1/20 0.41
MAPK1 P28482 2/20 0.41
POLR1A O95602 1/20 0.41
ECE1 P42892 1/20 0.41
MUS81 Q96NY9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL634104 0.87 POLR1A (0.50) ALDH1A1KDM4EHSD17B10GAAAOX1
SCHEMBL634918 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL634304 0.86 POLR1A (0.47) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL634412 0.84 POLR1A (0.48) ALDH1A1KDM4EHSD17B10AOX1POLR1A
SCHEMBL635572 0.82 RAD52 (0.48) ALDH1A1KDM4EHSD17B10GAAAOX1
SCHEMBL31125271 0.82 RAD52 (0.48) ALDH1A1KDM4EHSD17B10AOX1POLR1A
SCHEMBL634267 0.82 TNF (0.45) AOX1POLR1AECE1MUS81CYP1A2
SCHEMBL634698 0.80 POLR1A (0.45) ALDH1A1KDM4EHSD17B10GAAAOX1
SCHEMBL30122373 0.80 RAD52 (0.49) ALDH1A1KDM4EHSD17B10HPGDAOX1
SCHEMBL634092 0.80 RAD52 (0.49) ALDH1A1KDM4EHSD17B10HPGDAOX1

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 ALDH1A1 657/4885KDM4E 744/4885HSD17B10 2937/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI ALDH1A1 649/4885KDM4E 880/4885HSD17B10 3052/4885

“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.