SCHEMBL1004169

SCHEMBL1004169

COC(=O)c1cccc2oc(N(C)CCN(C)C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
HTR3A P46098 3/20 0.41
PPARG P37231 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
RAD52 P43351 1/20 0.37
SMARCA2 P51531 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 1/20 0.37
HCRTR1 O43613 2/20 0.37

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
SCHEMBL1005843 0.88 TOP2A (0.51) TOP2AHTR3APPARGNPC1RAB9A
Hydrochloric Acid SCHEMBL1005853 0.85 CMKLR1 (0.41) TOP2AHTR3APPARGKDM4EALDH1A1
SCHEMBL1006408 0.84 TOP2A (0.55) TOP2AHTR3ANPC1RAB9AKDM4E
SCHEMBL1004739 0.82 HTR3A (0.56) TOP2AHTR3ANPC1RAB9AKDM4E
SCHEMBL1005286 0.80 TOP2A (0.48) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL3986073 0.80 PPARG (0.37) PPARGKDM4EALDH1A1HPGDKMT2A
SCHEMBL1398896 0.74 TOP2A (0.59) TOP2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL27755482 0.74 HTR3A (0.47) TOP2AHTR3ANPC1RAB9AKDM4E
SCHEMBL7721972 0.74 TOP2A (0.55) TOP2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL1004337 0.73 TOP2A (0.57) TOP2AHTR3ANPC1RAB9AKDM4E

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 TOP2A 323/4885HTR3A 3/4885PPARG 4430/4885

“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.