SCHEMBL1003473

SCHEMBL1003473

COC(=O)c1cccc2oc(N3CCNc4ccccc43)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.45
PIM1 P11309 1/20 0.42
HTR3A P46098 5/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.36
ALOX5 P09917 1/20 0.36
PTPN11 Q06124 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 2/20 0.35
KCNH2 Q12809 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
MYC P01106 1/20 0.35

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
SCHEMBL1006726 0.87 PIM1 (0.42) TOP2APIM1HTR3AALDH1A1PTPN11
SCHEMBL1005458 0.78 HTR3A (0.70) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005035 0.77 HTR3A (0.69) HTR3AKCNH2
SCHEMBL1004233 0.77 HTR3A (0.46) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL1003474 0.76 PIM1 (0.40) PIM1HTR3AHPGDPTPN11
SCHEMBL1005128 0.76 HTR3A (0.45) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL1005127 0.76 HTR3A (0.45) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL1005890 0.75 TOP2A (0.48) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL1006005 0.74 TOP2A (0.50) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL1004911 0.74 HTR3A (0.59) 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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US 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 323/4885PIM1 4404/4885HTR3A 3/4885

“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.