SCHEMBL11909673

SCHEMBL11909673

O=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4cccc(O)c4)cc3)nc3cc(C(F)(F)F)ccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.46
FASN P49327 5/20 0.45
P2RX3 P56373 2/20 0.43
PIK3CD O00329 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 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
SCHEMBL22220762 1.00 BRD4 (0.46) BRD4FASNP2RX3PIK3CDALDH1A2
SCHEMBL14400 1.00 BRD4 (0.46) BRD4FASNP2RX3PIK3CDALDH1A2
SCHEMBL22220897 0.94 BRD4 (0.46) BRD4FASNPIK3CDALDH1A2ALDH1A1
SCHEMBL10585 0.94 BRD4 (0.46) BRD4FASNPIK3CDALDH1A2ALDH1A1
SCHEMBL10584 0.94 BRD4 (0.46) BRD4FASNPIK3CDALDH1A2ALDH1A1
SCHEMBL10940 0.93 BRD4 (0.49) BRD4FASNP2RX3PIK3CDALDH1A2
SCHEMBL22220920 0.93 BRD4 (0.49) BRD4FASNP2RX3PIK3CDALDH1A2
SCHEMBL10939 0.93 BRD4 (0.49) BRD4FASNP2RX3PIK3CDALDH1A2
SCHEMBL22220803 0.91 FASN (0.53) BRD4FASNP2RX3PIK3CD
SCHEMBL10015 0.91 FASN (0.53) BRD4FASNP2RX3PIK3CD

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 277/4885FASN 1/4885P2RX3 4563/4885

“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.