SCHEMBL1005286

SCHEMBL1005286

COC(=O)c1cccc2oc(NCCN(C)C)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.48
RAD52 P43351 5/20 0.41
SMARCA2 P51531 1/20 0.41
HTR3A P46098 1/20 0.41
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
AOX1 Q06278 1/20 0.37
CYP2D6 P10635 1/20 0.37
GLA P06280 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
Hydrochloric Acid SCHEMBL1004329 0.87 HTR3A (0.41) TOP2ARAD52SMARCA2HTR3AKDM4E
SCHEMBL1004894 0.85 TOP2A (0.50) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1005709 0.84 TOP2A (0.49) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1005317 0.84 HTR3A (0.54) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1006044 0.83 TOP2A (0.48) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1006003 0.83 TOP2A (0.48) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1004169 0.80 TOP2A (0.49) TOP2ARAD52SMARCA2HTR3ARIPK1
SCHEMBL1006138 0.80 TOP2A (0.49) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1005701 0.79 TOP2A (0.56) TOP2AHTR3ARIPK1KDM4EALDH1A1
SCHEMBL1005576 0.78 ALDH1A1 (0.46) TOP2AHTR3AKDM4EALDH1A1HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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 323/4885RAD52 2663/4885SMARCA2 1854/4885

“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.