SCHEMBL16994007

SCHEMBL16994007

O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ncc12)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.60
HSPA1A P0DMV8 1/20 0.60
HSPA9 P38646 1/20 0.60
HSPA2 P54652 1/20 0.60
USP30 Q70CQ3 2/20 0.59
CTSL P07711 1/20 0.53
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TRPV1 Q8NER1 10/20 0.45
CLK4 Q9HAZ1 1/20 0.45
IDO1 P14902 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 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
SCHEMBL16993889 0.87 NPC1 (0.58) USP30NPC1HTTRAB9AALDH1A1
SCHEMBL16994046 0.84 USP30 (0.61) HSPA5HSPA1AHSPA9HSPA2USP30
SCHEMBL19976925 0.83 TRPV1 (0.53) HSPA5HSPA9HSPA2NPC1HTT
SCHEMBL18261128 0.83 TRPV1 (0.48) USP30CTSLNPC1HTTRAB9A
SCHEMBL16994051 0.83 NPC1 (0.48) CTSLNPC1HTTRAB9AALDH1A1
SCHEMBL16999772 0.83 TRPV1 (0.48) USP30CTSLNPC1HTTRAB9A
SCHEMBL16999367 0.81 HPGDS (0.46) USP30NPC1HTTRAB9AALDH1A1
SCHEMBL16993988 0.81 HPGDS (0.46) USP30NPC1HTTRAB9AALDH1A1
SCHEMBL23593888 0.81 HSPA1A (0.60) HSPA5HSPA1AHSPA9HSPA2USP30
SCHEMBL16993905 0.81 HSPA1A (0.60) HSPA5HSPA1AHSPA9HSPA2USP30

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 11 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
EP-3102193-B1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES UNIV RUTGERS (US) 2023-01-11 EP disclosed
US-20210198279-A1 ANTIBACTERIAL AGENTS: DUAL-TARGETED RNA POLYMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-07-01 US 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-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed
EP-3102193-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES Rutgers, The State University of New Jersey (US) 2016-12-14 EP disclosed
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-12-01 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
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 (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-20210198279-A1 ANTIBACTERIAL AGENTS: DUAL-TARGETED RNA POLYMERASE INHIBITORS POLM, POLR2E, POLR2H HSPA5 1379/4885HSPA1A 839/4885HSPA9 2086/4885
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT HSPA5 2539/4885HSPA1A 1715/4885HSPA9 1692/4885

“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.