SCHEMBL13140451

SCHEMBL13140451

COC(=O)c1sccc1N=S

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 4/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
MAPK10 P53779 1/20 0.44
RECQL P46063 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL12166529 0.82 KMT2A (0.50) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL2919829 0.81 NPC1 (0.49) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL8099701 0.79 KMT2A (0.47) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL12713415 0.79 NPC1 (0.47) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
Water SCHEMBL27477225 0.78 KMT2A (0.46) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL1847138 0.78 KMT2A (0.48) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL1847139 0.78 KMT2A (0.48) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL26981928 0.78 KMT2A (0.46) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL1939079 0.77 NPC1 (0.48) NPC1KMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL1939080 0.77 NPC1 (0.48) NPC1KMT2AMEN1CYP1A2SMN1; 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 5 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-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
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

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-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS MC4R, MC5R, MC1R NPC1 3136/4885KMT2A 2410/4885MEN1 1090/4885
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors MC4R, MC5R, MC1R NPC1 3084/4885KMT2A 2207/4885MEN1 856/4885

“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.