SCHEMBL1004448

SCHEMBL1004448

O=C(O)c1cc(Cl)cc2oc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GPR35 Q9HC97 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 3/20 0.40

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
SCHEMBL1007566 0.83 KCNH2 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL1005229 0.81 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EL3MBTL1KCNH2
SCHEMBL17035398 0.80 GAA (0.42) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL2959750 0.80 DHODH (0.51) ALDH1A1GPR35POLBKDM4EDHODH
SCHEMBL1005639 0.79 SLC16A3 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL2965645 0.77 KDM4E (0.49) ALDH1A1GPR35HPGDHSD17B10CASP1
SCHEMBL2963270 0.77 EIF4E (0.42) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL2961683 0.76 ALDH1A1 (0.51) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL2963283 0.75 KMT2A (0.40) ALDH1A1GPR35HPGDKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7753332 0.75 MAOB (0.48) ALDH1A1GPR35HPGDHSD17B10ALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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 AKR1C4 3541/4885AKR1C3 3459/4885AKR1C2 4076/4885

“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.