SCHEMBL3562695

SCHEMBL3562695

O=C(O)c1nc(CNC(=O)c2ccc(Cl)s2)no1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.54
HPGD P15428 3/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.44
DAO P14920 1/20 0.43
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3561991 0.84 HPGD (0.50) F10HPGDTSHRLMNAKDM4E
SCHEMBL8208102 0.73 F10 (0.69) F10
SCHEMBL8208813 0.73 F10 (0.68) F10
SCHEMBL29111872 0.72 F10 (0.47) F10HPGDTSHRLMNAKDM4E
SCHEMBL1096148 0.70 POLB (0.52) F10HPGDTSHRLMNAKDM4E
SCHEMBL1095698 0.70 HPGD (0.53) F10HPGDTSHRLMNAKDM4E
SCHEMBL4909446 0.69 HPGD (0.55) F10HPGDTSHRLMNAKDM4E
SCHEMBL1106560 0.69 KMT2A (0.65) F10HPGDTSHRLMNAKDM4E
SCHEMBL1096444 0.68 POLB (0.65) F10HPGDTSHRLMNAKDM4E
SCHEMBL14627824 0.67 MAPK1 (0.64) F10HPGDTSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528737-B Novel heteroaryl carboxamides HOFFMANN LA ROCHE 2012-07-04 CN claimed
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US claimed
CN-101528737-A Novel heteroaryl carboxamides HOFFMANN LA ROCHE (CH) 2009-09-09 CN claimed
EP-2076511-A1 NOVEL HETEROARYL CARBOXAMIDES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO claimed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
CN-101528737-B Novel heteroaryl carboxamides HOFFMANN LA ROCHE 2012-07-04 CN disclosed
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US disclosed
CN-101528737-A Novel heteroaryl carboxamides HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
EP-2076511-A1 NOVEL HETEROARYL CARBOXAMIDES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO disclosed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 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 (1 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-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 F10 4/4885HPGD 2887/4885TSHR 434/4885

“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.