SCHEMBL209971

SCHEMBL209971

Cc1ccc(NC(=O)C(=O)O)s1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DAO P14920 1/20 0.44
RAF1 P04049 1/20 0.40
ATF1 P18846 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 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
SCHEMBL2705561 0.98 NFKB1 (0.61) NFKB1NPC1RAB9ATP53MAPT
SCHEMBL1005754 0.84 NPC1 (0.67) NFKB1NPC1RAB9ATP53MAPT
Lithium Ion SCHEMBL209972 0.83 NPC1 (0.53) NFKB1NPC1RAB9ATP53MAPT
SCHEMBL208477 0.79 NPC1 (0.53) NFKB1NPC1RAB9ATP53MAPT
SCHEMBL14584377 0.78 HSD17B10 (0.75) NFKB1NPC1RAB9ATP53MAPT
SCHEMBL210529 0.77 GPR35 (0.44) GAAPKMALOX15HSD17B10DAO
SCHEMBL5550842 0.76 NPC1 (0.58) NFKB1NPC1RAB9ATP53MAPT
SCHEMBL11174292 0.76 NPC1 (0.58) NFKB1NPC1RAB9ATP53MAPT
SCHEMBL14496948 0.74 GPR35 (0.46) GAAPKMALOX15HSD17B10DAO
SCHEMBL11455366 0.73 TP53 (0.54) NFKB1NPC1RAB9ATP53MAPT

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 3 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

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 NFKB1 1277/4885NPC1 3007/4885RAB9A 4576/4885

“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.