SCHEMBL210529

SCHEMBL210529

O=C(O)C(=O)Nc1ccc(Cl)s1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.44
DAO P14920 1/20 0.44
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.39
PTPN1 P18031 3/20 0.39
PTPRA P18433 1/20 0.39
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
PTPN2 P17706 2/20 0.37
PTPRB P23467 1/20 0.37
PTPN6 P29350 1/20 0.37
GSK3B P49841 1/20 0.36
PTPN11 Q06124 1/20 0.36
CNR1 P21554 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
SCHEMBL14496948 0.98 GPR35 (0.46) GPR35DAOGAAPKMALOX15
SCHEMBL4954917 0.82 DAO (0.48) DAOGAAPKMALOX15HSD17B10
SCHEMBL208453 0.78 GPR35 (0.44) GPR35DAOGAAPKMALOX15
SCHEMBL27973248 0.78 GAA (0.45) DAOGAAPKMALOX15HSD17B10
SCHEMBL209971 0.77 NFKB1 (0.59) GPR35DAOGAAPKMALOX15
SCHEMBL248655 0.76 HSD17B10 (0.72) DAOGAAPKMALOX15HSD17B10
SCHEMBL27902871 0.76 POLB (0.45) DAOGAAPKMALOX15HSD17B10
SCHEMBL2705561 0.74 NFKB1 (0.61) GPR35DAOGAAPKMALOX15
SCHEMBL5463120 0.73 GSK3B (0.48) DAOGAAPKMALOX15HSD17B10
SCHEMBL15893702 0.73 GAA (0.41) DAOGAAPKMALOX15HSD17B10

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-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S GPR35 2580/4885DAO 2776/4885GAA 4796/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 GPR35 582/4885DAO 928/4885GAA 4233/4885

“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.