SCHEMBL7113203

SCHEMBL7113203

COc1ccc2c(C(=O)O)cccc2c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.55
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGDS O60760 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL9800783 0.88 AKR1B10 (0.57) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL9245114 0.86 PLK1 (0.45) CDC25BHPGDKDM4EALDH1A1HSD17B10
SCHEMBL10455303 0.83 HPGDS (0.52) CDC25BCYP2C9HIF1AHPGDALDH1A1
SCHEMBL24895097 0.82 CDC25B (0.56) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL4103770 0.81 CDC25B (0.68) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL1997846 0.81 HTT (0.58) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL10603405 0.81 CDC25B (0.55) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL10527760 0.81 CDC25B (0.55) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL5771713 0.81 CDC25B (0.55) CDC25BCYP2C9HIF1AHPGDKDM4E
SCHEMBL9806312 0.78 AKR1B10 (0.53) CDC25BCYP2C9HIF1AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627405-B1 Process for the preparation of methyle 5-bromo-6-methoxy-1-naphthoate HOECHST AG (DE) 1997-01-15 EP claimed
JP-8268972-A None JP disclosed
US-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US disclosed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US disclosed
EP-0810205-B1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AG (DE) 2001-03-28 EP disclosed
EP-0810205-A1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed
EP-0627405-B1 Process for the preparation of methyle 5-bromo-6-methoxy-1-naphthoate HOECHST AG (DE) 1997-01-15 EP disclosed
JP-H08268972-A PRODUCTION OF 5-BROMO-6-METHOXY-1-NAPHTHALENE CARBOXYLIC ACID SUMIKIN CHEM CO LTD 1996-10-15 JP disclosed
EP-0627405-A1 Process for the preparation of methyle 5-bromo-6-methoxy-1-naphthoate HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-07 EP disclosed
EP-0245679-B1 DEHALOGENATION PROCESS ETHYL CORPORATION (US) 1991-03-13 EP disclosed
EP-0200840-B1 PROCESS FOR THE PREPARATION OF 6-(LOW)ALKOXY-1-NAPHTHOIC ACIDS, POSSIBLY HALOGENATED AT POSITION 5, AND THE CORRESPONDING ESTERS DELALANDE S.A. (FR) 1989-04-05 EP disclosed
US-4814497-A Dehalogenation process ETHYL CORPORATION (US) 1989-03-21 US disclosed
EP-0245679-A2 Dehalogenation process ETHYL CORPORATION (US) 1987-11-19 EP disclosed
US-4705882-A ALDOSE REDUCTASE INHIBITORS, ANTIDIABETIC AGENTS AYERST, MCKENNA & HARRISON, INC. (CA) 1987-11-10 US disclosed
EP-0200840-A1 Process for the preparation of 6-(low)alkoxy-1-naphthoic acids, possibly halogenated at position 5, and the corresponding esters DELALANDE S.A. (FR) 1986-11-12 EP disclosed
US-4600724-A ALDOSE REDUCTASE INHIBITOR, DIABETES AYERST, MCKENNA & HARRISON, INC. (CA) 1986-07-15 US disclosed
US-4568693-A ANTIDIATBETIC AGENTS AYERST, MCKENNA & HARRISON, INC. (CA) 1986-02-04 US disclosed
EP-0059596-B1 N-NAPHTHOYLGLYCINE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1985-04-24 EP disclosed
US-4439617-A TREATING DIABETES, ENZYME INHIBITOR AYERST, MCKENNA & HARRISON INC. (CA) 1984-03-27 US disclosed
EP-0059596-A1 N-Naphthoylglycine derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1982-09-08 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-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, SCN1B CDC25B 1908/4885CYP2C9 94/4885HIF1A 633/4885

“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.