SCHEMBL85665

SCHEMBL85665

Nc1ccc(N2CCCCCC2=O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
GFER P55789 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 5/20 0.44
POLB P06746 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
F10 P00742 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 2/20 0.39
ALOX15 P16050 1/20 0.39
YWHAG P61981 1/20 0.39
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 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
SCHEMBL76589 0.98 ALDH1A1 (0.45) ALDH1A1MAPTGFERMAPK1LMNA
SCHEMBL77294 0.94 HSD17B10 (0.47) ALDH1A1MAPTGFERMAPK1LMNA
SCHEMBL6329653 0.83 PARP1 (0.43) ALDH1A1PARP1HSD17B10KDM4EGAA
SCHEMBL12848677 0.83 HSD17B10 (0.44) ALDH1A1MAPTPARP1HSD17B10F10
SCHEMBL16190037 0.81 PARP1 (0.42) ALDH1A1PARP1HSD17B10HTTKDM4E
SCHEMBL5425961 0.81 KMT2A (0.57) ALDH1A1MAPTGFERMAPK1LMNA
SCHEMBL8305775 0.81 HSD17B10 (0.45) ALDH1A1PARP1HSD17B10F10KMT2A
SCHEMBL29349011 0.81 HSD17B10 (0.42) ALDH1A1PARP1HSD17B10KDM4EGAA
SCHEMBL1937361 0.81 PARP1 (0.51) ALDH1A1MAPK1PARP1HSD17B10HTT
SCHEMBL14311448 0.81 PARP1 (0.41) ALDH1A1PARP1HSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
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-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-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
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-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 WO disclosed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 268/4885MAPT 3896/4885GFER 439/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 ALDH1A1 489/4885MAPT 4360/4885GFER 2518/4885

“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.