SCHEMBL208477

SCHEMBL208477

COC(=O)C(=O)Nc1ccc(C)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
NFKB1 P19838 2/20 0.53
TP53 P04637 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RAF1 P04049 1/20 0.45
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DAO P14920 1/20 0.38
ATF1 P18846 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GPR35 Q9HC97 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL2705561 0.81 NFKB1 (0.61) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL208453 0.80 GPR35 (0.44) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL209971 0.79 NFKB1 (0.59) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL1005754 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTNFKB1
Lithium Ion SCHEMBL209972 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL14584377 0.76 HSD17B10 (0.75) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL5550842 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL11174292 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL11455366 0.72 TP53 (0.54) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL206754 0.71 NFKB1 (0.50) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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 9 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-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
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
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 CN disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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 (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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 NPC1 3007/4885RAB9A 4576/4885SMN1; SMN2 3918/4885

“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.