SCHEMBL14845

SCHEMBL14845

CNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(CC3CCN(C(=O)Cc4cc(C)no4)C3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.49
PTGER4 P35408 2/20 0.44
P2RX3 P56373 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
VDR P11473 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
P2RX2 Q9UBL9 1/20 0.38
ACSS2 Q9NR19 1/20 0.38

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
SCHEMBL10430 0.88 BRD4 (0.52) BRD4PTGER4MEN1KMT2ASCD
SCHEMBL10429 0.88 BRD4 (0.52) BRD4PTGER4MEN1KMT2ASCD
SCHEMBL11909477 0.86 BRD4 (0.57) BRD4PTGER4P2RX3P2RX2ACSS2
SCHEMBL11909475 0.86 BRD4 (0.57) BRD4PTGER4P2RX3P2RX2ACSS2
SCHEMBL10131 0.84 BRD4 (0.55) BRD4PTGER4
SCHEMBL22220768 0.84 BRD4 (0.55) BRD4PTGER4
SCHEMBL10132 0.84 BRD4 (0.55) BRD4PTGER4
SCHEMBL10327 0.83 BRD4 (0.55) BRD4PTGER4P2RX3P2RX2ACSS2
SCHEMBL10326 0.83 BRD4 (0.55) BRD4PTGER4P2RX3P2RX2ACSS2
SCHEMBL22220913 0.77 BRD4 (0.51) BRD4PTGER4P2RX3P2RX2ACSS2

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 5 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-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 BRD4 277/4885PTGER4 2567/4885P2RX3 4563/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC BRD4 2526/4885PTGER4 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.