SCHEMBL14744245

SCHEMBL14744245

Nc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.45
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
SCN10A Q9Y5Y9 2/20 0.41
PLA2G7 Q13093 1/20 0.41
MAP2 P11137 1/20 0.40
CYP3A4 P08684 2/20 0.39
PDK2 Q15119 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
SCN9A Q15858 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
GRIN2B Q13224 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL30321020 1.00 RORC (0.45) RORCALOX5APFEN1SCN10APLA2G7
SCHEMBL14744206 0.88 PLA2G7 (0.45) RORCALOX5APFEN1SCN10APLA2G7
SCHEMBL19199851 0.83 RORC (0.47) RORCSCN9A
SCHEMBL14744202 0.83 RORC (0.50) RORCMAP2
SCHEMBL30320910 0.83 RORC (0.50) RORCMAP2
SCHEMBL24032682 0.81 POLB (0.62) RORCALOX5APFEN1SCN10APDK2
SCHEMBL30320923 0.81 POLB (0.62) RORCALOX5APFEN1SCN10APDK2
SCHEMBL14744501 0.79 ALOX5AP (0.43) RORCALOX5APFEN1SCN10AMAP2
SCHEMBL30026285 0.78 PLA2G7 (0.41) RORCPLA2G7CYP3A4NFKB1PMP22
SCHEMBL30140163 0.78 CYP3A4 (0.46) CYP3A4SCN9AGRIN2BTSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
WO-2021228215-A1 BIARYL COMPOUND CAPABLE OF SERVING AS RORγ REGULATOR 上海辉启生物医药科技有限公司 2021-11-18 WO disclosed
US-10881649-B2 Therapeutic agent or preventive agent for alopecia areata TORAY INDUSTRIES, INC. (JP) 2021-01-05 US disclosed
US-10881649-B2 Therapeutic agent or preventive agent for alopecia areata TORAY INDUSTRIES, INC. (JP) 2021-01-05 US disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-20200215046-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR ALOPECIA AREATA TORAY INDUSTRIES, INC. (JP) 2020-07-09 US disclosed
US-20200215046-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR ALOPECIA AREATA TORAY INDUSTRIES, INC. (JP) 2020-07-09 US disclosed
EP-3409660-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-07-01 EP disclosed
EP-3409660-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-07-01 EP disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
US-10364222-B2 Cyclic amine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2019-07-30 US disclosed
US-10364222-B2 Cyclic amine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2019-07-30 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP disclosed
WO-2019022235-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR ALOPECIA AREATA 東レ株式会社 2019-01-31 WO disclosed
WO-2019022234-A1 INFLAMMATORY BOWEL DISEASE THERAPEUTIC AGENT OR PROPHYLACTIC AGENT 東レ株式会社 2019-01-31 WO disclosed
US-20180370916-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-12-27 US disclosed
EP-3409660-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2018-12-05 EP disclosed
WO-2017131156-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 2017-08-03 WO disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 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 (7 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-20200215046-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR ALOPECIA AREATA RORA, RORB, RORC RORC 3/4885ALOX5AP 682/4885FEN1 3452/4885
US-20180370916-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF RORC, RORB, HRH3 RORC 1/4885ALOX5AP 1148/4885FEN1 4733/4885
US-10364222-B2 Cyclic amine derivative and medical use thereof RORC, RORB, HRH3 RORC 1/4885ALOX5AP 1148/4885FEN1 4733/4885
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA RORC 1/4885ALOX5AP 3712/4885FEN1 4837/4885
US-10881649-B2 Therapeutic agent or preventive agent for alopecia areata RORA, RORB, RORC RORC 3/4885ALOX5AP 682/4885FEN1 3452/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA RORC 1/4885ALOX5AP 3753/4885FEN1 4843/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA RORC 1/4885ALOX5AP 3712/4885FEN1 4837/4885

“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.