SCHEMBL10702

SCHEMBL10702

O=C(C1CC1)N1CC[C@@H](Cn2c(-c3ccc(-c4ccccc4)cc3)nc3c(C(F)(F)F)cccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.45
PIK3CD O00329 3/20 0.45
FASN P49327 7/20 0.45
PIK3R1 P27986 1/20 0.42

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
SCHEMBL22220843 1.00 BRD4 (0.45) BRD4PIK3CDFASNPIK3R1
SCHEMBL10703 1.00 BRD4 (0.45) BRD4PIK3CDFASNPIK3R1
SCHEMBL10874 0.94 FASN (0.46) BRD4PIK3CDFASNPIK3R1
SCHEMBL22220850 0.94 FASN (0.46) BRD4PIK3CDFASNPIK3R1
SCHEMBL10873 0.94 FASN (0.46) BRD4PIK3CDFASNPIK3R1
SCHEMBL22220794 0.91 PIK3CD (0.45) BRD4PIK3CDFASNPIK3R1
SCHEMBL10910 0.91 PIK3CD (0.45) BRD4PIK3CDFASNPIK3R1
SCHEMBL10911 0.91 PIK3CD (0.45) BRD4PIK3CDFASNPIK3R1
SCHEMBL11758 0.89 BRD4 (0.50) BRD4FASN
SCHEMBL11909724 0.89 BRD4 (0.50) BRD4FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
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
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
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 (2 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 277/4885PIK3CD 2623/4885FASN 1/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC BRD4 2526/4885PIK3CD 4591/4885FASN 2790/4885

“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.