SCHEMBL3668866

SCHEMBL3668866

O=C(O)c1ccc(-n2ncc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.67
NPC1 O15118 1/20 0.55
HSP90AA1 P07900 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
XDH P47989 2/20 0.48
KHK P50053 2/20 0.47
KDM6B O15054 1/20 0.46
ABCC4 O15439 1/20 0.46
KDM4A O75164 1/20 0.46
ABCB11 O95342 1/20 0.46
KDM5A P29375 1/20 0.46
BLVRB P30043 1/20 0.46

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
SCHEMBL1667310 0.84 PLA2G10 (0.55) PLA2G10NPC1HSP90AA1NFKB1RAB9A
SCHEMBL14000500 0.83 PLA2G10 (0.48) PLA2G10NPC1HSP90AA1NFKB1RAB9A
SCHEMBL2610311 0.83 MGLL (0.57) PLA2G10NPC1HSP90AA1NFKB1RAB9A
SCHEMBL23734211 0.83 KHK (0.65) PLA2G10NPC1HSP90AA1NFKB1RAB9A
SCHEMBL30270004 0.82 KDM4E (0.56) PLA2G10NPC1NFKB1RAB9ANFKB2
SCHEMBL729956 0.82 KDM4E (0.56) PLA2G10NPC1NFKB1RAB9ANFKB2
SCHEMBL3666316 0.82 CYP11B1 (0.54) PLA2G10MGAMGAASIMGAM2
SCHEMBL18356093 0.82 ALDH1A1 (0.51) PLA2G10NPC1HSP90AA1NFKB1RAB9A
Hydrochloric Acid SCHEMBL3379409 0.81 KDM4E (0.55) PLA2G10NPC1NFKB1RAB9ANFKB2
SCHEMBL1880811 0.80 NR3C1 (0.55) PLA2G10NPC1NFKB1RAB9ANFKB2

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 PLA2G10 3378/4885NPC1 2225/4885HSP90AA1 1565/4885

“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.