SCHEMBL3483129

SCHEMBL3483129

CC(=O)Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MAPT P10636 7/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 5/20 0.51
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
DHODH Q02127 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
DYRK1A Q13627 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL9532012 0.90 MAPT (0.53) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL9528513 0.88 MAPT (0.52) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL27597146 0.88 DHODH (0.53) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL9687349 0.85 MAPT (0.49) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL5952505 0.85 MAPT (0.57) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL29370463 0.85 MAPT (0.57) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL5563288 0.85 MEN1 (0.50) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL6525254 0.84 MAPT (0.62) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL7045956 0.83 KMT2A (0.53) KMT2AMAPTNPSR1MEN1RAB9A
SCHEMBL117243 0.83 HCAR3 (0.50) KMT2AMAPTNPSR1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7683092-B2 Crystalline forms of antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
EP-1858844-A4 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS MERCK & CO INC (US) 2009-04-22 EP disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds MERCK SHARP & DOHME CORP. 2008-09-11 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
EP-1858844-A1 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS Merck & Co., Inc. (US) 2007-11-28 EP disclosed
WO-2006099077-A1 NOVEL CRYSTALLINE FORMS OF ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2006-09-21 WO disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 EP disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
US-5236940-A Administering for treatment of medical conditions associated with the effects of glutamate; glutamate-induced convulsions; schizophrenia; sleep disorders RHONE-POULENC SANTE (FR) 1993-08-17 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-20080221198-A1 Novel Crystalline Forms of Antidiabetic Compounds FFAR2, PPARG, PPARA KMT2A 1951/4885MAPT 2274/4885NPSR1 337/4885
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity PPARD, PPARG, GPR119 KMT2A 1230/4885MAPT 4720/4885NPSR1 2837/4885

“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.