SCHEMBL1006045

SCHEMBL1006045

COCCCNc1nc2c(C(=O)O)c(C)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KCNH3 Q9ULD8 1/20 0.36
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL1004895 0.93 HCAR3 (0.40) ELANEPOLBALDH1A1KCNH3KDM4E
SCHEMBL1005711 0.87 ELANE (0.39) ELANEPOLBALDH1A1KCNH3CA9
SCHEMBL1006463 0.80 HTR3A (0.43) ELANEPOLBALDH1A1KCNH3KDM4E
SCHEMBL1006044 0.75 TOP2A (0.48) ELANEALDH1A1KCNH3KDM4EKMT2A
SCHEMBL1008152 0.72 TOP2A (0.45) ALDH1A1KCNH3KDM4EMAPTPTGER4
SCHEMBL27755479 0.69 ALDH1A1 (0.34) POLBALDH1A1KDM4EKMT2ACA9
SCHEMBL1004894 0.68 TOP2A (0.50) ALDH1A1KDM4EKMT2AHSD17B10GLA
SCHEMBL21814981 0.67 APP (0.43) ALDH1A1KCNH3KDM4ETP53HTT
SCHEMBL206175 0.64 SMN1; SMN2 (0.48) POLBALDH1A1KDM4ETP53HSD17B10
SCHEMBL4305893 0.64 GLA (0.39) ELANEALDH1A1KDM4ETP53HSD17B10

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 ELANE 4093/4885POLB 1879/4885ALDH1A1 3092/4885

“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.