SCHEMBL1004895

SCHEMBL1004895

COCCNc1nc2c(C(=O)O)c(C)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.40
POLB P06746 1/20 0.38
PTGER4 P35408 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
USP2 O75604 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP7 P55210 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
NCF1 P14598 1/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1006045 0.93 ELANE (0.37) POLBPTGER4HDAC6MAPTALDH1A1
SCHEMBL1005711 0.84 ELANE (0.39) POLBHDAC6MAPTALDH1A1KCNH3
SCHEMBL1008152 0.79 TOP2A (0.45) HCAR3PTGER4LIPGMAPTALDH1A1
SCHEMBL1004894 0.74 TOP2A (0.50) LIPGMAPTALDH1A1KMT2AHPGD
SCHEMBL1006463 0.72 HTR3A (0.43) POLBALDH1A1KCNH3ELANEKMT2A
SCHEMBL27755479 0.70 ALDH1A1 (0.34) POLBMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL1006044 0.68 TOP2A (0.48) ALDH1A1KCNH3ELANEKMT2AHPGD
SCHEMBL206175 0.66 SMN1; SMN2 (0.48) POLBMAPTALDH1A1USP2HPGD
SCHEMBL4305893 0.66 GLA (0.39) HDAC6ALDH1A1CYP1A2ELANEHPGD
SCHEMBL21815371 0.65 ESR1 (0.43) LIPGMAPTALDH1A1KDM4E

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 HCAR3 55/4885POLB 1879/4885PTGER4 447/4885

“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.