SCHEMBL76526

SCHEMBL76526

O=C(Nc1ccc(Cl)cc1)NC1CCCC1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
HTT P42858 3/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
EPHX1 P07099 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CNR1 P21554 2/20 0.57
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
FPR1 P21462 4/20 0.52
FPR2 P25090 4/20 0.52

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
SCHEMBL85562 1.00 RAB9A (0.62) RAB9AHTTPOLBALDH1A1SMN1; SMN2
SCHEMBL19473762 0.85 KMT2A (0.60) RAB9ANPC1EPHX1KMT2AMEN1
SCHEMBL5950689 0.82 GRM4 (0.68) RAB9AHTTPOLBNPC1EPHX1
SCHEMBL19473756 0.82 RAB9A (0.64) RAB9AHTTPOLBSMN1; SMN2NPC1
SCHEMBL19473737 0.82 RAB9A (0.64) RAB9AHTTPOLBSMN1; SMN2NPC1
SCHEMBL23509616 0.82 RAB9A (0.64) RAB9AHTTPOLBSMN1; SMN2NPC1
SCHEMBL19473763 0.82 EPHX1 (0.51) RAB9AHTTPOLBALDH1A1SMN1; SMN2
SCHEMBL19473738 0.81 RAB9A (0.67) RAB9AALDH1A1SMN1; SMN2NPC1EPHX1
SCHEMBL23509611 0.81 RAB9A (0.67) RAB9AALDH1A1SMN1; SMN2NPC1EPHX1
SCHEMBL5950203 0.81 KMT2A (0.67) RAB9AHTTPOLBALDH1A1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1720844-B1 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) 2009-04-29 EP disclosed
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa CEZANNE BERTRAM 2008-04-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
EP-1797071-A1 CARBONYL COMPOUNDS USABLE AS COAGULATION FACTOR XA INHIBITORS Merck Patent GmbH (DE) 2007-06-20 EP disclosed
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP disclosed
EP-1720844-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) 2006-11-15 EP disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US 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

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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 RAB9A 2096/4885HTT 3879/4885POLB 3690/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX RAB9A 1813/4885HTT 3853/4885POLB 2957/4885
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa F2, F11, F12 RAB9A 2070/4885HTT 4119/4885POLB 3312/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB RAB9A 3292/4885HTT 2177/4885POLB 3094/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX RAB9A 1813/4885HTT 3853/4885POLB 2957/4885

“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.