SCHEMBL1193233

SCHEMBL1193233

O=Cc1cc(Br)c(O)c(Br)c1O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.63
SIRT1 Q96EB6 7/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
AKR1B1 P15121 1/20 0.41
FTO Q9C0B1 1/20 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
SCHEMBL30689085 1.00 ERN1 (0.63) ERN1SIRT1CA1CA2CA4
SCHEMBL16431419 0.86 ERN1 (0.57) ERN1SIRT1CA1CA2CA4
SCHEMBL27865436 0.82 ERN1 (0.57) ERN1CA1CA2CA4CA6
SCHEMBL28753784 0.82 ERN1 (0.57) ERN1CA1CA2CA4CA6
SCHEMBL2921541 0.81 ERN1 (0.52) ERN1SIRT1
SCHEMBL9189245 0.77 ERN1 (0.69) ERN1
SCHEMBL29371317 0.77 ERN1 (1.00) ERN1CA1CA2
SCHEMBL2120180 0.77 ERN1 (1.00) ERN1CA1CA2
SCHEMBL5881501 0.77 ERN1 (0.53) ERN1SIRT1CA1CA2CA4
SCHEMBL10759987 0.76 SIRT1 (0.46) SIRT1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117233299-A Method for detecting halogenated polyphenol in drinking water by solid phase extraction-vacuum centrifugal concentration-liquid chromatography tandem mass spectrometry 浙江大学 2023-12-15 CN claimed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
CN-117233299-A Method for detecting halogenated polyphenol in drinking water by solid phase extraction-vacuum centrifugal concentration-liquid chromatography tandem mass spectrometry 浙江大学 2023-12-15 CN disclosed
CN-117233299-A Method for detecting halogenated polyphenol in drinking water by solid phase extraction-vacuum centrifugal concentration-liquid chromatography tandem mass spectrometry 浙江大学 2023-12-15 CN disclosed
CN-108069929-B 3-substituted coumarin derivative and application thereof, and GPR35 receptor agonist 中国科学院大连化学物理研究所 2021-06-15 CN disclosed
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
EP-1740532-A4 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-10 EP disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US disclosed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP disclosed
US-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 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 (3 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-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof CFTR, ABCC5, SLC9A5 ERN1 4230/4885SIRT1 1910/4885CA1 1969/4885
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 ERN1 4230/4885SIRT1 1910/4885CA1 1969/4885
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 ERN1 4230/4885SIRT1 1910/4885CA1 1969/4885

“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.