SCHEMBL1004928

SCHEMBL1004928

COC(=O)c1cccc2oc(NC3CCCCC3)nc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.58
TOP2A P11388 2/20 0.48
HDAC6 Q9UBN7 1/20 0.46
FAAH O00519 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 2/20 0.43
ELANE P08246 2/20 0.43
HTR3A P46098 2/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.42
YAP1 P46937 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL1121563 0.88 RIPK1 (0.48) RIPK1TOP2AKDM4EHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL1008234 0.85 HDAC6 (0.47) RIPK1HDAC6FAAHKDM4EELANE
SCHEMBL1121524 0.81 ALDH1A1 (0.49) KDM4EALDH1A1
SCHEMBL1005701 0.79 TOP2A (0.56) RIPK1TOP2AKDM4EELANEHTR3A
SCHEMBL1004889 0.79 TOP2A (0.42) RIPK1TOP2AHTR3AALDH1A1ROCK2
SCHEMBL1006331 0.77 HTR3A (0.71) HTR3A
Hydrochloric Acid SCHEMBL1006445 0.76 HTR3A (0.70) HTR3A
SCHEMBL1005317 0.76 HTR3A (0.54) RIPK1TOP2AKDM4EELANEHTR3A
SCHEMBL1003521 0.75 TOP2A (0.58) TOP2AHDAC6KDM4EELANEHTR3A
SCHEMBL4155160 0.75 RPS6KB1 (0.43) TOP2AHDAC6ELANEHTR3AROCK2

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 RIPK1 4007/4885TOP2A 323/4885HDAC6 1533/4885

“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.