SCHEMBL10051

SCHEMBL10051

O=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(Br)cc3)nc3cc(C(F)(F)F)ccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.46
P2RX3 P56373 2/20 0.46
PIK3CD O00329 1/20 0.44
FASN P49327 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
BRD2 P25440 1/20 0.41
EP300 Q09472 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41

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
SCHEMBL10050 1.00 BRD4 (0.46) BRD4P2RX3PIK3CDFASNJAK2
SCHEMBL10913 0.93 BRD4 (0.45) BRD4P2RX3PIK3CDFASNBRD2
SCHEMBL10914 0.93 BRD4 (0.45) BRD4P2RX3PIK3CDFASNBRD2
SCHEMBL10940 0.91 BRD4 (0.49) BRD4P2RX3PIK3CDFASNBRD2
SCHEMBL22220882 0.91 KDM4E (0.49) BRD4P2RX3PIK3CDFASN
SCHEMBL10939 0.91 BRD4 (0.49) BRD4P2RX3PIK3CDFASNBRD2
SCHEMBL11011 0.91 KDM4E (0.49) BRD4P2RX3PIK3CDFASN
SCHEMBL22220920 0.91 BRD4 (0.49) BRD4P2RX3PIK3CDFASNBRD2
SCHEMBL11010 0.91 KDM4E (0.49) BRD4P2RX3PIK3CDFASN
SCHEMBL11909140 0.88 BRD4 (0.48) BRD4FASNBRD2EP300BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO 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 277/4885P2RX3 4563/4885PIK3CD 2623/4885

“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.