SCHEMBL5364637

SCHEMBL5364637

COC(=O)Cc1ccc(CN)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
TLR7 Q9NYK1 5/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HSP90AB1 P08238 1/20 0.45
SLC7A5 Q01650 1/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ROCK2 O75116 2/20 0.42
PDK2 Q15119 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL28445862 0.88 CFD (0.45) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL5361143 0.85 TLR7 (0.42) TLR7CYP4F2CYP4A11MAPTNPC1
SCHEMBL20943235 0.83 ALDH1A1 (0.54) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL27480882 0.82 TLR7 (0.47) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL30639470 0.82 ALDH1A1 (0.56) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL1717077 0.82 ALDH1A1 (0.56) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL13007382 0.81 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL4837545 0.81 ALDH1A1 (0.53) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL30192992 0.81 ALDH1A1 (0.64) ALDH1A1GAAGFERTLR7CYP4F2
SCHEMBL5957236 0.81 ALDH1A1 (0.64) ALDH1A1GAAGFERTLR7CYP4F2

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 18 patents. 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
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
CN-107522634-B Biaryl urea carboxylic acid derivative or salt thereof, and preparation method and application thereof 复旦大学 2020-09-01 CN 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-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US 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
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP disclosed
CN-101723921-A Casr antagonists JAPAN TOBACCO INC 2010-06-09 CN disclosed
CN-100577633-C CaSR antagonists JAPAN TOBACCO INC 2010-01-06 CN disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
CN-1741984-A CaSR antagonists JAPAN TOBACCO INC (JP) 2006-03-01 CN disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC 2004-09-02 US disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP 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 (6 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA ALDH1A1 644/4885GAA 1030/4885GFER 3980/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA ALDH1A1 655/4885GAA 1155/4885GFER 3968/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA ALDH1A1 655/4885GAA 1155/4885GFER 3968/4885
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, PDE4A, NOX1 ALDH1A1 416/4885GAA 585/4885GFER 3552/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 ALDH1A1 457/4885GAA 743/4885GFER 3230/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA ALDH1A1 644/4885GAA 1030/4885GFER 3980/4885

“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.