SCHEMBL45043

SCHEMBL45043

Nc1ccn(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
EPHX2 P34913 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DHFR P00374 1/20 0.45
ESRRA P11474 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44

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
Hydrochloric Acid SCHEMBL1082574 0.98 NOTUM (0.55) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL30780893 0.85 ALDH1A1 (0.40) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL518725 0.82 ALDH1A1 (0.64) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL16201993 0.81 NOTUM (0.56) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL14495367 0.81 EPHX2 (0.57) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL11614453 0.80 CASR (0.46) NOTUMALDH1A1PTGS2DHFRKMT2A
SCHEMBL13221151 0.78 NOTUM (0.54) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2360049 0.78 KEAP1 (0.53) NOTUMMAPK1NPC1RAB9AMAPT
SCHEMBL19657972 0.77 ALDH1A1 (0.70) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10226426 0.77 NOTUM (0.52) NOTUMALDH1A1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 WO disclosed
CN-106316987-B Benzamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-11-17 CN disclosed
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
CN-101365685-A 2-(benzimidazol-1-yl)-acetamide biaryl derivatives and their use as inhibitors of the TRPV1 receptor ORGANON NV (NL) 2009-02-11 CN disclosed
US-7482469-B2 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives N.V. ORGANON (NL) 2009-01-27 US disclosed
EP-1948616-A1 2-(BENZIMIDAZOL-1-YL)-ACETAMIDE BIARYL DERIVATIVES AND THEIR USE AS INHIBITORS OF THE TRPV1 RECEPTOR N.V. Organon (NL) 2008-07-30 EP disclosed
WO-2007054480-A1 2-(BENZIMIDAZOL-1-YL)-ACETAMIDE BIARYL DERIVATIVES AND THEIR USE AS INHIBITORS OF THE TRPV1 RECEPTOR N.V. ORGANON (NL) 2007-05-18 WO disclosed
US-20070112034-A1 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives AKZO NOBEL N.V. (NL) 2007-05-17 US disclosed
CN-1239547-A pharmaceutical grade botanical drug PHARMAPRINT INC (US) 1999-12-22 CN disclosed
US-4263204-A FOR PRINTING SYNTHETIC FIBERS MONTEDISON S.P.A. (IT) 1981-04-21 US disclosed
EP-0011295-A1 Yellow monoazo dyes of the 2-hydroxydibenzofuran series; their preparation and use for dyeing and printing synthetic hydrophobic fibres Montedison S.p.A. (IT) 1980-05-28 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 (3 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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 NOTUM 1719/4885ALDH1A1 2974/4885CYP1A2 1262/4885
US-20070112034-A1 2-(benzimidazol-1-yl)-acetamide bisaryl derivatives TRPV1, TRPV3, TRPV2 NOTUM 2478/4885ALDH1A1 546/4885CYP1A2 788/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 NOTUM 3802/4885ALDH1A1 871/4885CYP1A2 1146/4885

“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.