SCHEMBL1005709

SCHEMBL1005709

COC(=O)c1cccc2oc(NCCCO)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
RIPK1 Q13546 1/20 0.46
KDM4E B2RXH2 4/20 0.43
GLA P06280 1/20 0.43
HTR3A P46098 2/20 0.41
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP4A11 Q02928 2/20 0.38
CYP4F2 P78329 1/20 0.38
POLB P06746 1/20 0.36
ADORA2A P29274 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL1006044 0.89 TOP2A (0.48) TOP2ARIPK1KDM4EGLAHTR3A
SCHEMBL1004894 0.86 TOP2A (0.50) TOP2ARIPK1KDM4EGLAHTR3A
SCHEMBL1003671 0.86 HTR3A (0.41) TOP2AHTR3AELANEALDH1A1POLB
SCHEMBL1005317 0.85 HTR3A (0.54) TOP2ARIPK1KDM4EGLAHTR3A
SCHEMBL1005286 0.84 TOP2A (0.48) TOP2ARIPK1KDM4EGLAHTR3A
SCHEMBL1006138 0.81 TOP2A (0.49) TOP2ARIPK1KDM4EGLAHTR3A
SCHEMBL1005701 0.80 TOP2A (0.56) TOP2ARIPK1KDM4EHTR3AELANE
SCHEMBL1006463 0.80 HTR3A (0.43) TOP2AKDM4EHTR3AELANEALDH1A1
SCHEMBL1006003 0.80 TOP2A (0.48) TOP2ARIPK1KDM4EHTR3AELANE
SCHEMBL1005576 0.79 ALDH1A1 (0.46) TOP2AKDM4EGLAHTR3AALDH1A1

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 323/4885RIPK1 4007/4885KDM4E 2017/4885

“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.