SCHEMBL10300655

SCHEMBL10300655

[C-]#[N+]c1ccc2[nH]c(/C=C/C(=O)OCC)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 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
SCHEMBL24601171 0.81 CYP2A6 (0.44) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL2239744 0.80 ATP6V1B1 (0.51) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL2239741 0.80 ATP6V1B1 (0.51) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL1420124 0.79 DNTT (0.42) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL1420129 0.79 DNTT (0.42) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL10300649 0.76 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL8308921 0.76 ATP6AP1 (0.52) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL8308919 0.76 ATP6AP1 (0.52) TTRDPP4P2RY12KDM4EALDH1A1
SCHEMBL951357 0.76 ALDH1A1 (0.59) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL951355 0.76 ALDH1A1 (0.59) KDM4EALDH1A1HPGDLMNAL3MBTL1

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-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
US-20110086839-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-14 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 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-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 TTR 2225/4885DPP4 100/4885P2RY12 1149/4885
US-20110086839-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 TTR 2225/4885DPP4 100/4885P2RY12 1149/4885

“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.