SCHEMBL625735

SCHEMBL625735

NCCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.48
MC4R P32245 2/20 0.47
MC5R P33032 2/20 0.47
MARS1 P56192 6/20 0.43
SIGMAR1 Q99720 2/20 0.43
MC3R P41968 1/20 0.41
IDO1 P14902 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL626355 0.92 CHRM2 (0.50) CHRM2MC4RMC5RMARS1MC3R
SCHEMBL626270 0.88 CHRM2 (0.56) CHRM2MC4RMC5RMARS1MC3R
SCHEMBL625484 0.88 CHRM2 (0.51) CHRM2MC4RMC5RMARS1MC3R
SCHEMBL6875413 0.88 CHRM2 (0.56) CHRM2MC4RMC5RMARS1MC3R
SCHEMBL625986 0.88 CHRM2 (0.56) CHRM2MC4RMC5RMARS1MC3R
SCHEMBL626377 0.88 CHRM2 (0.56) CHRM2MC4RMC5RMARS1MC3R
SCHEMBL24477135 0.84 MC4R (0.55) CHRM2MC4RMC5RSIGMAR1MC3R
SCHEMBL7919218 0.81 IDO1 (0.39) CHRM2MC4RMC5RMARS1SIGMAR1
SCHEMBL9903568 0.80 CHRM2 (0.77) CHRM2MC4RMC5RCYP1A2CYP3A4
SCHEMBL15445344 0.80 CHRM2 (0.46) CHRM2MARS1IDO1SMN1; SMN2RHOC

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
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-9006392-B2 Actagardine derivatives, and pharmaceutical use thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2015-04-14 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2012-11-29 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO disclosed
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 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 (4 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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB CHRM2 4065/4885MC4R 1975/4885MC5R 3239/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 CHRM2 463/4885MC4R 635/4885MC5R 405/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CHRM2 4696/4885MC4R 2593/4885MC5R 735/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 CHRM2 4858/4885MC4R 1459/4885MC5R 1212/4885

“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.