SCHEMBL16994002

SCHEMBL16994002

COc1ccc(F)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.60
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
CTSL P07711 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CTSB P07858 1/20 0.47
KDM4E B2RXH2 1/20 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
SCHEMBL16993949 0.93 PSMB5 (0.53) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16999794 0.93 PSMB5 (0.53) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16993911 0.92 KMT2A (0.54) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16999809 0.92 KMT2A (0.54) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16999567 0.91 PSMB5 (0.57) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL18261145 0.91 PSMB5 (0.57) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16999548 0.90 PSMB5 (0.58) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16993912 0.90 PSMB5 (0.58) PSMB5ALDH1A1ALOX15POLBNPSR1
SCHEMBL16999344 0.89 PSMB5 (0.50) PSMB5NPSR1CTSLKMT2AMEN1
SCHEMBL16993921 0.89 PSMB5 (0.50) PSMB5NPSR1CTSLKMT2AMEN1

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 PSMB5 741/4885ALDH1A1 3103/4885ALOX15 4353/4885
US-20160347708-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES TYR, NAT1, AANAT PSMB5 1008/4885ALDH1A1 732/4885ALOX15 3371/4885

“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.