SCHEMBL11042

SCHEMBL11042

COc1cccc2c1nc(-c1ccc(-c3ccccc3)cc1)n2C[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.45
FASN P49327 7/20 0.45
PIK3CD O00329 2/20 0.43
PTGER4 P35408 1/20 0.42
BRD2 P25440 1/20 0.42
EP300 Q09472 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 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
SCHEMBL11043 1.00 BRD4 (0.45) BRD4FASNPIK3CDPTGER4BRD2
SCHEMBL22220879 1.00 BRD4 (0.45) BRD4FASNPIK3CDPTGER4BRD2
SCHEMBL22220744 0.94 FASN (0.44) BRD4FASNPIK3CD
SCHEMBL22220757 0.94 FASN (0.46) BRD4FASNPIK3CD
SCHEMBL10755 0.94 FASN (0.44) BRD4FASNPIK3CD
SCHEMBL10756 0.94 FASN (0.44) BRD4FASNPIK3CD
SCHEMBL10358 0.94 FASN (0.46) BRD4FASNPIK3CD
SCHEMBL10359 0.94 FASN (0.46) BRD4FASNPIK3CD
SCHEMBL11758 0.89 BRD4 (0.50) BRD4FASNBRD2EP300BRD3
SCHEMBL11909724 0.89 BRD4 (0.50) 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 9 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
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 277/4885FASN 1/4885PIK3CD 2623/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC BRD4 2526/4885FASN 2790/4885PIK3CD 4591/4885

“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.