SCHEMBL1008232

SCHEMBL1008232

COC(=O)c1cc(Cl)cc2oc(N3CCN(C)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
WDR5 P61964 2/20 0.41
SIRT6 Q8N6T7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HTR6 P50406 2/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.37
MAP4K1 Q92918 1/20 0.36
GAA P10253 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL1005580 0.87 HTR6 (0.40) TSHRHTR6HTR3AKCNH2HRH4
SCHEMBL1007229 0.81 HTR6 (0.52) KMT2AKDM4EMEN1USP2ALDH1A1
SCHEMBL1080222 0.77 HTR6 (0.48) KMT2AKDM4EMEN1USP2ALDH1A1
SCHEMBL1005229 0.77 ALDH1A1 (0.40) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL1004493 0.76 HTR3A (0.49) HTR3A
SCHEMBL1007822 0.76 HTR3A (0.49) HTR3A
SCHEMBL1004490 0.76 HTR3A (0.63) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005627 0.75 HTR3A (0.62) HTR3AKCNH2
SCHEMBL1006187 0.75 HTR3A (0.51) KDM4EALDH1A1SMN1; SMN2HTR3AKCNH2
SCHEMBL1004495 0.75 HTR3A (0.50) HTR3AKCNH2

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
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A KMT2A 2162/4885KDM4E 2017/4885MEN1 1199/4885

“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.