SCHEMBL7097465

SCHEMBL7097465

CC(CO)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
PPARA Q07869 3/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL1626113 0.85 MIF (0.48) MIFKMT2AMEN1PPARAMAPT
SCHEMBL20556837 0.85 MIF (0.48) MIFKMT2AMEN1PPARAMAPT
Hydrochloric Acid SCHEMBL8663111 0.83 MIF (0.47) MIFKMT2AMEN1PPARAMAPT
SCHEMBL29074082 0.82 ESR1 (0.50) KMT2AMEN1CYP3A4TSHRALDH1A1
SCHEMBL6758034 0.82 CYP2C19 (0.50) KMT2AMAPTCYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL7990558 0.81 MIF (0.46) MIFKMT2AMEN1PPARAMAPT
SCHEMBL15109990 0.81 MEN1 (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7102268 0.80 GRIN2D (0.45) MIFKMT2AMEN1PPARAMAPT
SCHEMBL157467 0.79 MIF (0.43) MIFKMT2AMEN1PPARAMAPT
SCHEMBL6345537 0.79 MIF (0.43) MIFKMT2AMEN1PPARAMAPT

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
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
US-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 US disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 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 (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-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 MIF 299/4885KMT2A 2154/4885MEN1 3137/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 MIF 299/4885KMT2A 2154/4885MEN1 3137/4885

“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.