SCHEMBL3666979

SCHEMBL3666979

Cc1nc2cc(C#N)ccc2n1-c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.55
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RXRA P19793 1/20 0.45

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
SCHEMBL12135360 0.87 HSD17B10 (0.64) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL3673421 0.87 HPGD (0.57) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL541056 0.84 ALDH1A1 (0.62) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL14000394 0.81 ALDH1A1 (0.70) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL29784251 0.79 HSD17B10 (1.00) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL120600 0.79 HSD17B10 (1.00) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL121580 0.78 HSD17B10 (0.78) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL29829098 0.78 SIRT2 (0.58) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL26931756 0.78 SIRT2 (0.58) HSD17B10SMN1; SMN2HTTHPGDTHRB
SCHEMBL3667518 0.77 HSD17B10 (0.72) HSD17B10SMN1; SMN2HTTHPGDTHRB

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
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HSD17B10 2810/4885SMN1; SMN2 1004/4885HTT 867/4885

“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.