SCHEMBL18300960

SCHEMBL18300960

Cc1cc(NCC(F)(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
AR P10275 3/20 0.39
ICMT O60725 1/20 0.39
S1PR1 P21453 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
ABL1 P00519 1/20 0.37
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AGTR1 P30556 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IL1B P01584 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL28009482 0.83 MAPT (0.49) RAPGEF4ALDH1A1MAPTARNPC1
SCHEMBL453843 0.79 IL1B (0.43) ALDH1A1MAPTARNPC1HTT
SCHEMBL16302385 0.79 AR (0.39) ALDH1A1MAPTARNPC1HTT
SCHEMBL14338947 0.79 ALDH1A1 (0.46) ALDH1A1MAPTARHTTBACE1
SCHEMBL849767 0.79 RAB9A (0.48) ALDH1A1MAPTARNPC1HTT
SCHEMBL1800169 0.77 ALDH1A1 (0.46) RAPGEF4ALDH1A1MAPTICMTNPC1
SCHEMBL10779665 0.76 ALDH1A1 (0.54) ALDH1A1MAPTICMTNPC1HTT
SCHEMBL20714852 0.76 ICMT (0.45) RAPGEF4ALDH1A1MAPTICMTNPC1
SCHEMBL28115527 0.76 AR (0.38) ALDH1A1MAPTARNPC1HTT
SCHEMBL9189930 0.75 IL1B (0.43) ALDH1A1MAPTARNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112347-B1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2018-10-31 EP disclosed
US-9988350-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-05 US disclosed
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-11-09 US disclosed
US-9718771-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-08-01 US disclosed
EP-3112347-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2017-01-04 EP disclosed
US-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2016-12-15 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 (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-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR1, S1PR3, S1PR2 RAPGEF4 1189/4885ALDH1A1 2050/4885MAPT 4763/4885
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR3, S1PR1, S1PR2 RAPGEF4 1337/4885ALDH1A1 2780/4885MAPT 4652/4885

“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.