SCHEMBL16999331

SCHEMBL16999331

O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2cnccc12)c1cccc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.48
CCKAR P32238 1/20 0.45
CCKBR P32239 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNA5 P22460 1/20 0.44
HPGDS O60760 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
USP30 Q70CQ3 1/20 0.42
ROCK1 Q13464 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
SCHEMBL16994052 1.00 TRPV1 (0.48) TRPV1CCKARCCKBRMEN1KMT2A
SCHEMBL18272413 0.93 TRPV1 (0.42) TRPV1USP30
SCHEMBL16999367 0.85 HPGDS (0.46) TRPV1CCKARCCKBRHPGDSHTT
SCHEMBL16993988 0.85 HPGDS (0.46) TRPV1CCKARCCKBRHPGDSHTT
SCHEMBL16994022 0.84 TRPV1 (0.53) TRPV1MEN1KMT2AMAPK1HTT
SCHEMBL16994042 0.84 TRPV1 (0.53) TRPV1MEN1KMT2AKCNA5MAPK1
SCHEMBL16994005 0.84 TRPV1 (0.55) TRPV1MEN1KMT2AMAPK1HTT
SCHEMBL16999333 0.84 TRPV1 (0.53) TRPV1MEN1KMT2AMAPK1HTT
SCHEMBL19976992 0.83 TRPV1 (0.48) TRPV1MEN1KMT2AKCNA5MAPK1
SCHEMBL30172750 0.83 MEN1 (0.58) TRPV1MEN1KMT2AMAPK1HTT

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-2023023378-A1 DUAL-TARGETED RNA POLYMERASE INHIBITORS: CONJUGATES OF BENZOXAZINO- AND SPIRO-RIFAMYCINS WITH Nα-AROYL- N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-23 WO disclosed
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-12-01 US disclosed
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 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 (1 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-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT TRPV1 3092/4885CCKAR 3247/4885CCKBR 4251/4885

“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.