SCHEMBL12869734

SCHEMBL12869734

CCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2)c(O)c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.84
KMT2A Q03164 12/20 0.84
KDM4E B2RXH2 6/20 0.73
HTT P42858 5/20 0.73
ALDH1A1 P00352 3/20 0.73
HPGD P15428 2/20 0.73
TDP1 Q9NUW8 4/20 0.72
CRHBP P24387 2/20 0.72
CRHR2 Q13324 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.71
POLB P06746 2/20 0.67
LMNA P02545 2/20 0.64
MAPK1 P28482 1/20 0.64
USP2 O75604 1/20 0.64
HSD17B10 Q99714 1/20 0.64

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
SCHEMBL12869971 0.92 MEN1 (0.73) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL13888269 0.91 MEN1 (1.00) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL38659614 0.86 TDP1 (0.75) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL38660303 0.86 TDP1 (0.75) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL38660692 0.85 MEN1 (0.76) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL12869892 0.85 MEN1 (0.86) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL12869852 0.85 KDM4E (0.70) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL13310285 0.85 TDP1 (0.70) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL10674767 0.84 MEN1 (1.00) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL12870001 0.83 TDP1 (1.00) MEN1KMT2AKDM4EHTTTDP1

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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 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 (3 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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 MEN1 2560/4885KMT2A 3993/4885KDM4E 3554/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 MEN1 2560/4885KMT2A 3993/4885KDM4E 3554/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 MEN1 2560/4885KMT2A 3993/4885KDM4E 3554/4885

“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.