SCHEMBL9944990

SCHEMBL9944990

CCCNC(=O)c1cc(N)c(NC)cc1N1CCC2(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 12/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.35
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 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
SCHEMBL9946662 0.87 CFTR (0.38) KIF18A
SCHEMBL9944806 0.85 ALDH1A1 (0.41) KDM4EALDH1A1POLBGAA
SCHEMBL9944991 0.85 KDM4E (0.36) KDM4EALDH1A1POLBTHRBRECQL
SCHEMBL9944989 0.84 ALDH1A1 (0.44) ALDH1A1GAA
SCHEMBL9944767 0.80 GAA (0.45) KDM4EALDH1A1TDP1GAA
SCHEMBL9945033 0.80 GAA (0.45) KDM4EALDH1A1TDP1GAA
SCHEMBL9944950 0.79 RAB9A (0.40) KIF18AKDM4EALDH1A1POLBGAA
SCHEMBL9946615 0.76 PTGES (0.43)
SCHEMBL9944847 0.76 ALDH1A1 (0.43) KDM4EALDH1A1POLBGAA
SCHEMBL9944821 0.76 ALOX15 (0.39) KIF18AKDM4EALDH1A1POLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (1 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES KIF18A 4848/4885KDM4E 3442/4885ALDH1A1 126/4885

“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.