SCHEMBL6324765

SCHEMBL6324765

O=C(Nc1onc(-c2ccccn2)c1C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADORA3 P0DMS8 3/20 0.47
KDM4A O75164 1/20 0.47
KDM4B O94953 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
F2 P00734 1/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HCAR3 P49019 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL6323194 0.88 CA2 (0.53) TP53SMN1; SMN2F2F12KCNK3
SCHEMBL6318230 0.85 SMN1; SMN2 (0.54) TP53SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL6318656 0.84 NPC1 (0.50) TP53SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL12997959 0.83 SMN1; SMN2 (0.55) TP53SMN1; SMN2ADORA2AALDH1A1NPC1
SCHEMBL6316894 0.82 MAPK14 (0.53) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL6316034 0.82 ADORA3 (0.50) TP53SMN1; SMN2ADORA3ALDH1A1NPC1
SCHEMBL6316069 0.82 GRM1 (0.50) TP53SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL6315466 0.81 NAAA (0.47) TP53SMN1; SMN2ALDH1A1LMNAALOX12
SCHEMBL6324647 0.81 ADORA1 (0.41) TP53ADORA1ALDH1A1NPC1RAB9A
SCHEMBL6316442 0.81 GABRA5 (0.45) SMN1; SMN2ADORA3KDM4AALDH1A1PKM

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TP53 609/4885SMN1; SMN2 2766/4885ADORA3 1471/4885

“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.