SCHEMBL2820871

SCHEMBL2820871

O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 1.00
MAPT P10636 2/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
CYP2C19 P33261 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
KMT2A Q03164 1/20 1.00
KCNMA1 Q12791 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
PDE5A O76074 2/20 0.43
PDE9A O76083 2/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL29630342 1.00 HSP90AA1 (1.00) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL29598579 1.00 HSP90AA1 (1.00) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL5632986 0.91 HSP90AA1 (0.83) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL29948904 0.91 HSP90AA1 (0.83) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL29748943 0.91 HSP90AA1 (0.83) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL3102522 0.91 HSP90AA1 (0.83) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL12288836 0.91 HSP90AA1 (0.83) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL9118693 0.89 HSP90AA1 (0.81) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL2564507 0.89 HSP90AA1 (0.81) HSP90AA1MAPTMEN1CYP1A2CYP3A4
SCHEMBL5132212 0.88 HSP90AA1 (0.78) HSP90AA1MAPTMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149717-A1 METHODS AND COMPOSITIONS RELATED TO DOPAMINERGIC NEURONAL CELLS RESEARCH DEVELOPMENT FOUNDATION (US) 2013-06-13 US claimed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
US-7211561-B2 Method for inducing selective cell death of malignant cells by activation of calcium-activated potassium channels (KCa) CEDARS-SINAI MEDICAL CENTER (US) 2007-05-01 US claimed
US-20070032471-A1 Active substance combination comprising a 2,5-dihydroxybenzenesulfonic compound and a potassium ion channel modulator LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
EP-1651204-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A 2,5-DIHYDROXYBENZENESULFONIC COMPOUND AND A POTASSIUM ION CHANNEL MODULATOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-03 EP claimed
WO-2005013962-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A 2,5-DIHYDROXYBENZENESULFONIC COMPOUND AND A POTASSIUM ION CHANNEL MODULATOR LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO claimed
WO-2004056181-A1 ORGAN PRECONDITIONING, ARREST, PROTECTION, PRESERVATION AND RECOVERY (2) GLOBAL CARDIAC SOLUTIONS PTY LTD (AU) 2004-07-08 WO claimed
WO-2004056180-A1 ORGAN PRECONDITIONING, ARREST, PROTECTION, PRESERVATION AND RECOVERY (1) GLOBAL CARDIAC SOLUTIONS PTY LTD (AU) 2004-07-08 WO claimed
US-20030060487-A1 Treatment of neurodegenerative disease MINERVA BIOTECHNOLOGIES CORPORATION 2003-03-27 US claimed
EP-0617023-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1998-10-21 EP claimed
US-5475015-A Benzimidazole derivatives, their preparation and pharmaceutical use NEUROSEARCH A/S (DK) 1995-12-12 US claimed
EP-0617023-A1 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1994-09-28 EP claimed
JP-6321910-A None JP disclosed
US-12605367-B2 Methods of treatment and/or prevention of disorders and symptoms related to BKCa and/or SK channelophathies Universite de Bordeaux (FR) 2026-04-21 US disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
CN-110575453-B Application of NS1619 in inhibiting NLRP3 inflammatory body activation 中国科学技术大学 2023-04-21 CN disclosed
EP-0617023-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1998-10-21 EP disclosed
US-5475015-A Benzimidazole derivatives, their preparation and pharmaceutical use NEUROSEARCH A/S (DK) 1995-12-12 US disclosed
JP-H06321910-A BENZIMIDAZOLE DERIVATIVE, PREPARATION THEREOF AND USE THEREOF NEUROSEARCH AS 1994-11-22 JP disclosed
EP-0617023-A1 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1994-09-28 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 (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-20030060487-A1 Treatment of neurodegenerative disease HTT, IAPP, APP HSP90AA1 1150/4885MAPT 9/4885MEN1 2093/4885
US-12605367-B2 Methods of treatment and/or prevention of disorders and symptoms related to BKCa and/or SK channelophathies KCNN3, KCNN1, KCNN2 HSP90AA1 3685/4885MAPT 1137/4885MEN1 1350/4885
US-20070032471-A1 Active substance combination comprising a 2,5-dihydroxybenzenesulfonic compound and a potassium ion channel modulator KCNN2, KCNA5, KCNJ2 HSP90AA1 1719/4885MAPT 3504/4885MEN1 2403/4885

“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.