SCHEMBL701232

SCHEMBL701232

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
GAA P10253 2/20 0.54
ATM Q13315 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
TSHR P16473 1/20 0.47
GRIK1 P39086 1/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 3/20 0.45
NLRP1 Q9C000 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL18137202 1.00 KMT2A (0.54) KMT2AMEN1GAAATMGPR55
SCHEMBL9614867 0.94 NPC1 (0.57) KMT2AMEN1GAAATMGPR55
SCHEMBL8555704 0.85 NPC1 (0.58) KMT2AMEN1GAAATMGPR55
SCHEMBL14715852 0.84 POLB (0.57) KMT2AMEN1GAAATMGPR55
SCHEMBL1736418 0.84 POLB (0.57) KMT2AMEN1GAAATMGPR55
SCHEMBL1735243 0.84 POLB (0.57) KMT2AMEN1GAAATMGPR55
SCHEMBL699996 0.83 MAPT (0.58) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL4086777 0.83 MAPT (0.58) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL7827059 0.83 KMT2A (0.50) KMT2AMEN1GAANPC1ALDH1A1
SCHEMBL28033836 0.81 KMT2A (0.55) KMT2AMEN1GAAATMGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
US-8158796-B2 Process for the preparation of Rho-kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2008117305-A2 A NOVEL PROCESS FOR PREPARING PREGABALIN AND ITS ACID ADDITION SALTS GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-10-02 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (1 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-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA KMT2A 2945/4885MEN1 2053/4885GAA 2076/4885

“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.