SCHEMBL6580936

SCHEMBL6580936

CCOC(=O)CCOc1ccc(Cl)cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
KDM4E B2RXH2 2/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL1613775 0.93 MEN1 (0.76) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL29351129 0.93 MEN1 (0.76) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL28252189 0.88 MAPT (0.63) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9487034 0.87 KDM4E (0.66) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL5416139 0.85 CYP1A2 (0.68) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL22729312 0.85 MEN1 (0.59) MEN1KMT2AKDM4ETP53ALOX15
Diphenylether SCHEMBL1324456 0.84 MEN1 (0.64) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL3667070 0.83 KDM4E (0.65) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL9487859 0.83 TP53 (0.65) MEN1KMT2AKDM4ETP53ALOX15
Metaxon SCHEMBL28498297 0.82 NPSR1 (0.57) MEN1KMT2AALDH1A1GAASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205187-C New amidino derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2005-06-08 CN disclosed
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed
CN-1266427-A Amidino derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2000-09-13 CN disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed
EP-0262393-B1 DERIVATIVES OF ARYLOXYCARBONIC ACIDS, THEIR PREPARATION AND THEIR USE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-01-07 EP disclosed
CN-1019485-B ARYLCARBOXYLIC ACID DERIVATIVE, PREPARATION AND USE THEREOF SHELL AGRAR GMBH & CO KG (DE) 1992-12-16 CN disclosed
EP-0262393-A1 Derivatives of aryloxycarbonic acids, their preparation and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-04-06 EP disclosed
CN-87106006-A The preparation method of arylcarboxylic acid derivative and application 1988-03-16 CN disclosed
US-3961935-A Synergistic herbicidal composition comprising O-methyl or O-ethyl-O-(3-methyl-6-nitrophenyl)-N-secondary-butylphosphorothioamidate and a phenoxy-type herbicide SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-08 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 (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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 MEN1 1630/4885KMT2A 4730/4885KDM4E 4662/4885

“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.