SCHEMBL7217191

SCHEMBL7217191

Clc1ccc(CCCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
TAAR1 Q96RJ0 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 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
SCHEMBL7614753 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL8071211 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL7464785 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL5596095 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL7562067 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL11460578 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL7562217 1.00 KCNH2 (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL1008937 0.98 IGF1R (0.53) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL81407 0.91 TAAR1 (0.52) KCNH2IGF1RALOX15TAAR1HDAC3
SCHEMBL8467011 0.89 KCNH2 (0.45) KCNH2IGF1RALOX15TAAR1HDAC3

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
US-20250326713-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-23 US disclosed
EP-4525852-A1 INHIBITORS OF MSBA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2023224893-A1 INHIBITORS OF MSBA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
US-20140171393-A1 NOVEL AROMATIC THIO COMPOUNDS AS RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-06-19 US disclosed
CN-1105558-C 2,2-dichloroalkane carboxylic acids, process for preparing the same, medicament containing the same and use for treating insulin resistance ROCHE DIAGNOSTICS GMBH (DE) 2003-04-16 CN disclosed
US-6545009-B1 Imidazole, oxazole and thiazole derivatives for regulation of peroxisome proliferator-activated receptor function; improving insulin resistance, treating impaired glucose tolerance and obesity, enhancing insulin sensitivity, etc. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-08 US disclosed
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
EP-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-6071935-A Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors PFIZER INC. (US) 2000-06-06 US disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
EP-0131302-B1 IMIDAZOLIUM SALTS, INTERMEDIATES THERETO AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed
EP-0275024-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-04 EP disclosed
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
US-4833161-A ANTIDIABETIC AGENTS, ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-23 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed
EP-0275024-A1 Carboxylic-acid derivatives, processes for their preparation and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1988-07-20 EP disclosed
EP-0226636-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1987-07-01 EP disclosed
WO-1987000521-A2 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1987-01-29 WO disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 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 (2 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-20140171393-A1 NOVEL AROMATIC THIO COMPOUNDS AS RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 KCNH2 2282/4885IGF1R 653/4885ALOX15 2206/4885
US-20250326713-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MSRB3, ARSA, ABCG2 KCNH2 1813/4885IGF1R 2156/4885ALOX15 2750/4885

“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.