SCHEMBL3673421

SCHEMBL3673421

COC(=O)c1ccc(-n2c(C)nc3cc(C#N)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
THRB P10828 2/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
TDP2 O95551 2/20 0.47
TP53 P04637 2/20 0.46
ATM Q13315 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
SCHEMBL3666979 0.87 HSD17B10 (0.64) HPGDALDH1A1LMNAUSP2NPSR1
SCHEMBL14000400 0.84 POLB (0.57) HPGDALDH1A1LMNAPOLBHSD17B10
SCHEMBL8366908 0.82 ALDH1A1 (0.61) HPGDALDH1A1LMNAPOLBHSD17B10
SCHEMBL148148 0.80 KDM4E (0.58) HPGDALDH1A1LMNAPOLBHSD17B10
SCHEMBL29829285 0.79 SIRT2 (0.60) HPGDALDH1A1LMNAUSP2NPSR1
SCHEMBL26931778 0.79 SIRT2 (0.60) HPGDALDH1A1LMNAUSP2NPSR1
SCHEMBL541343 0.79 HSD17B10 (0.76) HPGDALDH1A1LMNAPOLBHSD17B10
SCHEMBL3724649 0.79 POLB (0.70) HPGDALDH1A1NPSR1POLBHSD17B10
SCHEMBL541056 0.79 ALDH1A1 (0.62) HPGDALDH1A1LMNAUSP2NPSR1
SCHEMBL1809753 0.78 FGFR1 (0.65) HPGDALDH1A1SMN1; SMN2MAPTRAB9A

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 4 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

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 HPGD 588/4885ALDH1A1 1130/4885LMNA 4465/4885

“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.