SCHEMBL85672

SCHEMBL85672

O=[N+]([O-])c1ccc(N2CCCCCC2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 1/20 0.69
LMNA P02545 3/20 0.66
SMN1; SMN2 Q16637 4/20 0.62
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 1/20 0.59
SLC6A9 P48067 1/20 0.59
SLC6A5 Q9Y345 1/20 0.59
MAPT P10636 5/20 0.59
THRB P10828 1/20 0.59
HTT P42858 2/20 0.57
MITF O75030 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL1127011 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL30928952 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL4921368 0.98 ALDH1A1 (0.75) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL5697459 0.95 ALDH1A1 (0.68) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL6687570 0.93 MAPT (0.69) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL14464189 0.92 ALDH1A1 (0.79) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL18396735 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL30843930 0.87 GAA (0.65) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL1640562 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL5058298 0.86 ALDH1A1 (0.71) ALDH1A1KMT2AGAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-7579346-B2 (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-08-25 US disclosed
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1786422-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY Prosidion Limited (GB) 2007-05-23 EP disclosed
EP-1608645-B1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2007-05-02 EP disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
WO-2006034789-A1 PROLINE DERIVATIVES MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
WO-2006034769-A1 CARBONYL COMPOUNDS USABLE AS COAGULATION FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 WO disclosed
WO-2004087696-A1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2004-10-14 WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 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 (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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX ALDH1A1 268/4885KMT2A 1530/4885GAA 1047/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R ALDH1A1 274/4885KMT2A 1905/4885GAA 1071/4885

“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.