SCHEMBL9856

SCHEMBL9856

COc1ccc2c(c1)nc(-c1ccc(-c3ccc(F)cc3)cc1)n2C[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.49
PTGER4 P35408 1/20 0.48
P2RX3 P56373 3/20 0.46
BRD4 O60885 9/20 0.46
MAPK10 P53779 1/20 0.46
P2RX2 Q9UBL9 1/20 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
SCHEMBL22220873 1.00 FASN (0.49) FASNPTGER4P2RX3BRD4MAPK10
SCHEMBL9857 1.00 FASN (0.49) FASNPTGER4P2RX3BRD4MAPK10
SCHEMBL22220864 0.95 P2RX3 (0.51) FASNPTGER4P2RX3BRD4MAPK10
SCHEMBL10603 0.95 P2RX3 (0.51) FASNPTGER4P2RX3BRD4MAPK10
SCHEMBL10604 0.95 P2RX3 (0.51) FASNPTGER4P2RX3BRD4MAPK10
SCHEMBL11072 0.93 FASN (0.49) FASNBRD4MAPK10
SCHEMBL22220755 0.93 FASN (0.49) FASNBRD4MAPK10
SCHEMBL11073 0.93 FASN (0.49) FASNBRD4MAPK10
SCHEMBL22220885 0.92 BRD4 (0.51) FASNPTGER4P2RX3BRD4MAPK10
SCHEMBL10698 0.92 BRD4 (0.51) FASNPTGER4P2RX3BRD4MAPK10

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 FASN 1/4885PTGER4 2567/4885P2RX3 4563/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885PTGER4 1647/4885P2RX3 1240/4885

“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.