SCHEMBL634993

SCHEMBL634993

CC(N(C)C)n1cc(C(=O)O)c2nc3ccccc3cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP5 P45974 1/20 0.40
RAD52 P43351 2/20 0.39
UHRF1 Q96T88 1/20 0.38
TOP2A P11388 1/20 0.37
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLR1A O95602 2/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL632021 0.84 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1CASP1CASP7
SCHEMBL634185 0.79 KDM4E (0.46) TSHRSMN1; SMN2RAD52KDM4ERXFP1
SCHEMBL634992 0.78 RAD52 (0.47) RAD52UHRF1TOP2AKDM4ERXFP1
SCHEMBL5823899 0.76 BRD4 (0.46) TSHRRAD52KDM4ERXFP1NPC1
SCHEMBL634696 0.72 BRD4 (0.41) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL634695 0.72 BRD4 (0.41) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL7572004 0.68 ALDH1A1 (0.49) SMN1; SMN2RAD52UHRF1KDM4ENPC1
SCHEMBL7778085 0.68 PLK1 (0.46) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL634175 0.66 RAD52 (0.64) SMN1; SMN2RAD52UHRF1KDM4EPOLR1A
SCHEMBL8520765 0.66 ALDH1A1 (0.49) SMN1; SMN2RAD52UHRF1KDM4ENPC1

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 TSHR 3875/4885SMN1; SMN2 2755/4885USP5 2858/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI TSHR 3734/4885SMN1; SMN2 2519/4885USP5 3162/4885

“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.