SCHEMBL2962331

SCHEMBL2962331

Nc1c(C(=O)O)ccc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.48
G6PD P11413 1/20 0.48
CASP6 P55212 1/20 0.48
PTPN1 P18031 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 1/20 0.44
ESR2 Q92731 1/20 0.44
MMP2 P08253 1/20 0.44
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
GLA P06280 1/20 0.42
ERN1 O75460 2/20 0.42
CYP1A2 P05177 1/20 0.41

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
Hydrochloric Acid SCHEMBL27404686 0.98 CASP7 (0.47) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL26963264 0.82 SELL (0.56) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL29860864 0.82 SELL (0.56) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL2422463 0.81 CASP7 (0.45) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL1982182 0.80 SELL (0.60) PTPN1ALDH1A1MAPTKDM4EAKR1C4
SCHEMBL6508228 0.78 AKR1C3 (0.47) PTPN1ALDH1A1MAPTKDM4EAKR1C4
SCHEMBL7697637 0.78 SELL (0.64) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL2949804 0.78 MMP2 (0.57) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL2473014 0.78 GABRP (0.44) CASP7G6PDCASP6PTPN1ALDH1A1
SCHEMBL14157169 0.78 CASP7 (0.42) CASP7G6PDCASP6PTPN1ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007054348-A1 NOVEL MEDICAMENTS Ernst-Moritz-Arndt-Universität Greifswald (DE) 2007-05-18 WO claimed
CN-1076439-A The new derivative of 3-hydroxyanthranilic acid, Preparation Method And The Use ASTRA AB (SE) 1993-09-22 CN claimed
CN-103857657-B Hete rocyclic derivatives and medicine NIPPON SHINYAKU CO.,LTD. (JP) 2016-04-20 CN disclosed
CN-103857657-A Heterocyclic derivative and pharmaceutical drug NIPPON SHINYAKU CO LTD 2014-06-11 CN disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2007054348-A1 NOVEL MEDICAMENTS Ernst-Moritz-Arndt-Universität Greifswald (DE) 2007-05-18 WO disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
CN-1121345-A New compounds ASTRA AB (SE) 1996-04-24 CN disclosed
EP-0686144-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1995-12-13 EP disclosed
EP-0686145-A1 NEW COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1995-12-13 EP disclosed
EP-0643686-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1995-03-22 EP disclosed
WO-1994019315-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1994-09-01 WO disclosed
WO-1994019316-A1 NEW COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1994-09-01 WO disclosed
CN-1076439-A The new derivative of 3-hydroxyanthranilic acid, Preparation Method And The Use ASTRA AB (SE) 1993-09-22 CN disclosed
WO-1993005012-A1 NEW COMPOUNDS AB ASTRA (SE) 1993-03-18 WO disclosed
EP-0530166-A2 3-Hydroxy anthranilic acid derivatives for inhibiting 3-hydroxy anthranilate oxygenase Astra Aktiebolag (SE) 1993-03-03 EP 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A CASP7 1387/4885G6PD 3257/4885CASP6 2134/4885

“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.