SCHEMBL11909477

SCHEMBL11909477

CNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(C[C@H]3CCN(C(=O)O)C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.57
PTGER4 P35408 1/20 0.51
ACSS2 Q9NR19 2/20 0.44
P2RX3 P56373 2/20 0.44
P2RX2 Q9UBL9 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43

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
SCHEMBL11909475 1.00 BRD4 (0.57) BRD4PTGER4ACSS2P2RX3P2RX2
SCHEMBL10131 0.92 BRD4 (0.55) BRD4PTGER4
SCHEMBL22220768 0.92 BRD4 (0.55) BRD4PTGER4
SCHEMBL10132 0.92 BRD4 (0.55) BRD4PTGER4
SCHEMBL10326 0.91 BRD4 (0.55) BRD4PTGER4ACSS2P2RX3P2RX2
SCHEMBL10327 0.91 BRD4 (0.55) BRD4PTGER4ACSS2P2RX3P2RX2
SCHEMBL10430 0.87 BRD4 (0.52) BRD4PTGER4HRH3
SCHEMBL10429 0.87 BRD4 (0.52) BRD4PTGER4HRH3
SCHEMBL14845 0.86 BRD4 (0.49) BRD4PTGER4ACSS2P2RX3P2RX2
SCHEMBL13895 0.84 BRD4 (0.51) BRD4PTGER4ACSS2P2RX3P2RX2

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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 BRD4 277/4885PTGER4 2567/4885ACSS2 8/4885

“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.