SCHEMBL2275587

SCHEMBL2275587

O=Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.55
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
CYP11B1 P15538 2/20 0.45
HDAC1 Q13547 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 2/20 0.40
MCHR1 Q99705 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GCK P35557 1/20 0.39
GCKR Q14397 1/20 0.39
P2RX7 Q99572 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL2271123 0.90 KDM1A (0.49) KIF11KDM1AMAOBCYP11B1HDAC1
SCHEMBL27344645 0.86 KIF11 (0.63) KIF11KDM1AMAOBCYP11B1NPSR1
SCHEMBL24408833 0.84 GCK (0.55) KIF11KDM1AMAOBCYP11B1HDAC1
SCHEMBL28530523 0.84 KIF11 (0.61) KIF11KDM1AMAOBCYP11B1NPSR1
SCHEMBL29690424 0.84 KIF11 (0.61) KIF11KDM1AMAOBCYP11B1NPSR1
SCHEMBL18002181 0.83 KDM1A (0.45) KIF11KDM1AMAOBCYP11B1NPSR1
SCHEMBL4342508 0.82 KIF11 (0.59) KIF11KDM1AMAOBCYP11B1NPSR1
SCHEMBL30747787 0.80 CYP11B1 (0.56) CYP11B1ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL28682644 0.80 CYP11B1 (0.56) CYP11B1ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL18002840 0.79 KIF11 (0.42) KIF11KDM1AMAOBNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107759522-B Carboxylic acid derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2023-04-14 CN disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 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 (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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 KIF11 3238/4885KDM1A 1110/4885MAOB 2578/4885
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR KIF11 3904/4885KDM1A 2498/4885MAOB 3179/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885KDM1A 3632/4885MAOB 2356/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885KDM1A 3632/4885MAOB 2356/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885KDM1A 3632/4885MAOB 2356/4885

“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.