SCHEMBL16696512

SCHEMBL16696512

Cc1nc(-c2ccc(C(F)(F)F)cn2)co1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CASP3 P42574 2/20 0.42
ENPP3 O14638 3/20 0.41
ENPP1 P22413 1/20 0.41
PTGS2 P35354 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
KIF11 P52732 1/20 0.38
SCN9A Q15858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
XPO1 O14980 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL29620904 0.81 NPSR1 (0.44) NPSR1KDM4ECASP3TRPV3KIF11
SCHEMBL29595709 0.78 NPSR1 (0.53) NPSR1KDM4ECASP3TRPV3KIF11
SCHEMBL811160 0.78 NPSR1 (0.53) NPSR1KDM4ECASP3TRPV3KIF11
SCHEMBL2056137 0.78 ENPP3 (0.62) ENPP3ENPP1PTGS2MRGPRX4KIF11
SCHEMBL16709321 0.78 CCR1 (0.61) ENPP3ENPP1SCN9A
SCHEMBL24689583 0.75 CCR1 (0.64) NPSR1KDM4ECASP3PTGS2TRPV3
SCHEMBL15495537 0.73 CASP3 (0.56) NPSR1KDM4ECASP3KIF11L3MBTL1
SCHEMBL26521094 0.72 CCR1 (0.53) NPSR1KDM4ECASP3PTGS2TRPV3
SCHEMBL26375537 0.72 SCN9A (0.40) ENPP3ENPP1PTGS2MRGPRX4TRPV3
SCHEMBL26375539 0.71 ENPP3 (0.49) ENPP3ENPP1PTGS2MRGPRX4SCN9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129814-B2 Antimicrobial agents TAXIS PHARMACEUTICALS, INC. (US) 2021-09-28 US disclosed
US-11129814-B2 Antimicrobial agents TAXIS PHARMACEUTICALS, INC. (US) 2021-09-28 US disclosed
US-20180338957-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-11-29 US disclosed
US-10071082-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-11 US disclosed
US-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-20150133465-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-05-14 US disclosed
US-20150133465-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-05-14 US 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 (5 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-20180338957-A1 ANTIMICROBIAL AGENTS MRPL21, SPOUT1, LSS NPSR1 4074/4885KDM4E 4224/4885CASP3 936/4885
US-11129814-B2 Antimicrobial agents MRPL21, SPOUT1, LSS NPSR1 4074/4885KDM4E 4224/4885CASP3 936/4885
US-20160367531-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NPSR1 966/4885KDM4E 4414/4885CASP3 72/4885
US-10071082-B2 Antimicrobial agents CFTR, MRPL21, ARG1 NPSR1 966/4885KDM4E 4414/4885CASP3 72/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NPSR1 966/4885KDM4E 4414/4885CASP3 72/4885

“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.