SCHEMBL10504

SCHEMBL10504

COc1ccc(-c2ccc(-c3nc4cc(C)ccc4n3C[C@@H]3CCN(C(=O)C4CC4)C3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.58
FASN P49327 3/20 0.48
P2RX2 Q9UBL9 3/20 0.47
PTGER4 P35408 1/20 0.47
BRD4 O60885 7/20 0.47

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
SCHEMBL22220884 1.00 P2RX3 (0.58) P2RX3FASNP2RX2PTGER4BRD4
SCHEMBL10505 1.00 P2RX3 (0.58) P2RX3FASNP2RX2PTGER4BRD4
SCHEMBL10604 0.95 P2RX3 (0.51) P2RX3FASNPTGER4BRD4
SCHEMBL22220864 0.95 P2RX3 (0.51) P2RX3FASNPTGER4BRD4
SCHEMBL10603 0.95 P2RX3 (0.51) P2RX3FASNPTGER4BRD4
SCHEMBL10726 0.93 P2RX3 (0.49) P2RX3FASNBRD4
SCHEMBL22220892 0.93 P2RX3 (0.49) P2RX3FASNBRD4
SCHEMBL10727 0.93 P2RX3 (0.49) P2RX3FASNBRD4
SCHEMBL22220885 0.90 BRD4 (0.51) P2RX3FASNPTGER4BRD4
SCHEMBL10699 0.90 BRD4 (0.51) P2RX3FASNPTGER4BRD4

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 7 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
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

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 P2RX3 4563/4885FASN 1/4885P2RX2 4631/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC P2RX3 1240/4885FASN 2790/4885P2RX2 1253/4885

“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.