SCHEMBL1007566

SCHEMBL1007566

Nc1nc2c(C(=O)O)cc(Cl)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
HTR3A P46098 1/20 0.52
CYP3A4 P08684 1/20 0.46
PIK3CG P48736 1/20 0.44
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GPR35 Q9HC97 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL1004448 0.83 AKR1C4 (0.42) KCNH2HTR3ACYP3A4CYP1A2ALOX15
SCHEMBL1006187 0.82 HTR3A (0.51) KCNH2HTR3APIK3CGMAPTALDH1A1
SCHEMBL1006557 0.81 KDM4E (0.46) KCNH2HTR3ADHODHALDH1A1HPGD
SCHEMBL1005909 0.81 KEAP1 (0.42) KCNH2HTR3ADHODHALDH1A1GPR35
SCHEMBL17035398 0.77 GAA (0.42) KCNH2HTR3ACYP3A4CYP1A2ALOX15
SCHEMBL2959750 0.77 DHODH (0.51) MAPTDHODHALDH1A1GPR35POLB
SCHEMBL1005639 0.76 SLC16A3 (0.36) KCNH2HTR3ACYP3A4CYP1A2ALOX15
SCHEMBL2965645 0.75 KDM4E (0.49) CYP1A2MAPTDHODHALDH1A1GPR35
SCHEMBL25114081 0.74 TTR (0.43) KCNH2HTR3APIK3CGCYP1A2ALOX15
SCHEMBL2961683 0.74 ALDH1A1 (0.51) LMNAMAPTTHRBAKR1C2AKR1C1

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 KCNH2 1871/4885HTR3A 3/4885CYP3A4 556/4885

“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.