SCHEMBL3592637

SCHEMBL3592637

COC(=O)c1ccsc1N=C=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX12 P18054 1/20 0.36
MAPK10 P53779 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GRM6 O15303 1/20 0.36

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
SCHEMBL10706597 0.85 KMT2A (0.45) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL18884079 0.81 KMT2A (0.47) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4714140 0.80 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1RECQL
SCHEMBL12713446 0.76 KMT2A (0.49) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17574082 0.75 KMT2A (0.45) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2919829 0.74 NPC1 (0.49) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13895781 0.72 KMT2A (0.51) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL21847322 0.71 RAB9A (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL31200496 0.70 ALDH1A1 (0.50) KMT2AMEN1KDM4EALDH1A1THRB
SCHEMBL910030 0.70 ALDH1A1 (0.50) KMT2AMEN1KDM4EALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 US disclosed
US-8288395-B2 Pyrimido-benzimidzole derivatives and the use thereof in the form of agonists or antagonists of melanocortin receptors IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
CN-1968955-B Pyrimido-benzimidazole derivatives and their use as melanocortin receptor agonists or antagonists IPSEN PHARMA SAS 2012-06-13 CN disclosed
US-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS IPSEN PHARMA S.A.S. (FR) 2010-10-07 US disclosed
US-7763725-B2 used for treating metabolic, nervous sytsem and skin disorders,inflammatory diseases, obesity, cachexia, erectile dysfunction, neuropathic pain, or as antidepressants, anxiolytic and anticarcinogenic agents IPSEN PHARMA S.A.S. (FR) 2010-07-27 US disclosed
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-08-20 US disclosed
CN-1968955-A Pyrimido-benzimidazole derivatives and their use as melanocortin receptor agonists or antagonists SOD CONSEILS RECH APPLIC (FR) 2007-05-23 CN disclosed
US-6441169-B1 PHENYL, THIENYL (INCLUDING ALL 3 ISOMERS), THIAZOLYL OR PYRIDYL PYRIMIDINES; PROTECTING PLANTS AGAINST DISEASES CAUSED BY FUNGI, BACTERIA OR VIRUSES SYNGENTA CROP PROTECTION, INC. 2002-08-27 US disclosed
EP-0888359-B1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE SYNGENTA PARTICIPATIONS AG (CH) 2002-05-02 EP disclosed
US-6262058-B1 Pyrimidin-4-one derivatives as pesticide SYNGENTA CROP PROTECTION, INC. 2001-07-17 US disclosed
EP-1015435-A1 PYRIMIDIN-2-OXY-4-ONE AND PYRIMIDIN-2-OXY-4-THIONE DERIVATIVES Novartis AG (CH) 2000-07-05 EP disclosed
WO-1999011631-A1 PYRIMIDIN-2-OXY-4-ONE AND PYRIMIDIN-2-OXY-4-THIONE DERIVATIVES NOVARTIS AG (CH) 1999-03-11 WO disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
EP-0888359-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997033890-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE NOVARTIS AG (CH) 1997-09-18 WO disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 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-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 KMT2A 4672/4885MEN1 2079/4885SMN1; SMN2 4745/4885
US-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS MC4R, MC5R, MC1R KMT2A 2410/4885MEN1 1090/4885SMN1; SMN2 3807/4885
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors MC4R, MC5R, MC1R KMT2A 2207/4885MEN1 856/4885SMN1; SMN2 3545/4885

“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.