SCHEMBL92862

SCHEMBL92862

Cc1ccc(-n2ccc(=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MGLL Q99685 1/20 0.52
ELANE P08246 2/20 0.50
F2 P00734 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
ALOX5 P09917 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
SCHEMBL1366622 0.77 L3MBTL1 (0.56) KMT2AELANEF2CTSGCMA1
SCHEMBL10434353 0.76 KMT2A (0.53) KMT2AMGLLKDM4ESMN1; SMN2APP
SCHEMBL20649339 0.76 KMT2A (0.59) KMT2AMGLLKDM4ESMN1; SMN2MAPT
SCHEMBL20176617 0.76 KMT2A (0.53) KMT2AMGLLKDM4ESMN1; SMN2MEN1
SCHEMBL14282014 0.76 MGLL (0.57) KMT2AMGLLKDM4ESMN1; SMN2MAPT
SCHEMBL9594218 0.76 KMT2A (0.53) KMT2AKDM4ESMN1; SMN2APPMAPT
SCHEMBL7319404 0.75 KMT2A (0.52) KMT2AMGLLKDM4ESMN1; SMN2MEN1
SCHEMBL334849 0.74 KMT2A (1.00) KMT2ASMN1; SMN2MAPTMEN1LMNA
SCHEMBL18850042 0.73 MGLL (0.43) KMT2AMGLLELANEF2CTSG
SCHEMBL12082283 0.73 MGLL (0.39) KMT2AMGLLELANEF2CTSG

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 8 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
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use NITROMED, INC. (US) 2008-01-10 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP 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 (3 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 KMT2A 1530/4885MGLL 4598/4885ELANE 590/4885
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE2A KMT2A 3848/4885MGLL 654/4885ELANE 515/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB KMT2A 3212/4885MGLL 3168/4885ELANE 211/4885

“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.