SCHEMBL13834686

SCHEMBL13834686

c1ccc(-c2ccc(-c3nc4cnccc4n3C[C@@H]3CCNC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
BRD4 O60885 3/20 0.46
PDE6D O43924 6/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGER4 P35408 2/20 0.42
TDO2 P48775 1/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
RPS6KA5 O75582 1/20 0.38

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
SCHEMBL29056685 0.80 BRD4 (0.58) BRD4PDE6DHDAC1HDAC8HDAC6
SCHEMBL29056569 0.80 BRD4 (0.58) BRD4PDE6DHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL11908897 0.78 BRD4 (0.54) BRD4PDE6DHDAC1HDAC8HDAC6
SCHEMBL12764531 0.77 BRD4 (0.52) ATMBRD4PTGER4
SCHEMBL13834447 0.76 BRD4 (0.62) ATMBRD4PTGER4
SCHEMBL12632192 0.76 BRD4 (0.62) ATMBRD4PTGER4
SCHEMBL2035437 0.76 BRD4 (0.50) BRD4
SCHEMBL12630671 0.74 BRD4 (0.51) ATMBRD4PTGER4
SCHEMBL13834739 0.74 BRD4 (0.51) ATMBRD4PTGER4
SCHEMBL6150130 0.74 RPS6KA5 (0.43) BRD4PTGER4RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY ATM 3624/4885BRD4 702/4885PDE6D 3098/4885

“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.