SCHEMBL996485

SCHEMBL996485

Cc1ccc(CN(CCCl)CCCl)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 6/20 0.46
POLB P06746 2/20 0.46
CNR2 P34972 1/20 0.44
GPR55 Q9Y2T6 2/20 0.44
THRB P10828 2/20 0.42
PYCR1 P32322 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCHR1 Q99705 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
SCHEMBL13049988 0.83 HRH3 (0.50) HRH3ALDH1A1MAPTCNR2PYCR1
SCHEMBL3400632 0.83 HRH3 (0.50) HRH3ALDH1A1MAPTCNR2PYCR1
SCHEMBL14373882 0.83 PYCR1 (0.53) ALDH1A1MEN1KMT2AMAPTCNR2
SCHEMBL20287494 0.82 HRH3 (0.72) HRH3MAPTPYCR1NPSR1CYP2C19
Hydrochloric Acid SCHEMBL5025947 0.81 PYCR1 (0.52) ALDH1A1MAPTPOLBCNR2PYCR1
SCHEMBL6261922 0.80 HRH3 (0.47) HRH3ALDH1A1MEN1KMT2AMAPT
SCHEMBL6268546 0.79 ALDH1A1 (0.49) HRH3ALDH1A1MEN1KMT2AMAPT
SCHEMBL28783183 0.78 MAPT (0.69) HRH3ALDH1A1MAPTMCHR1
SCHEMBL995037 0.77 TAAR1 (0.43) HRH3ALDH1A1MEN1KMT2AMAPT
SCHEMBL6268253 0.77 PYCR1 (0.53) HRH3ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217989-A1 MACROCYCLIC BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-08-03 US disclosed
US-20160280650-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-09-29 US disclosed
US-9365529-B2 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics GALDERMA RESEARCH & DEVLOPMENT (FR) 2016-06-14 US disclosed
EP-2968314-A2 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS Galderma Research & Development (FR) 2016-01-20 EP disclosed
US-20150158834-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-06-11 US disclosed
US-8980897-B2 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-03-17 US disclosed
EP-2801568-A1 Benzene-sulphonamide compounds, method for synthesising and use in medicine and in cosmetics Galderma Research & Development (FR) 2014-11-12 EP disclosed
WO-2014140861-A2 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-09-18 WO disclosed
US-20140275108-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-09-18 US disclosed
EP-2448920-B1 Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine GALDERMA RES & DEV (FR) 2014-08-13 EP disclosed
US-6331563-B1 LOW MOLECULAR WEIGHT, NON-PEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME; TREATING ARTHRITIS, TUMOR METASTASIS, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, INSULIN RESISTANCE WYETH HOLDINGS CORPORATION 2001-12-18 US disclosed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
US-6197791-B1 ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-03-06 US disclosed
US-6172057-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-01-09 US disclosed
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
EP-0973512-A1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-26 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed
WO-1998037877-A1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 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 (4 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-20160280650-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS TYR, ARSA, NISCH HRH3 1598/4885ALDH1A1 318/4885MEN1 2111/4885
US-20140275108-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS NOTUM, CBS, TST HRH3 1325/4885ALDH1A1 274/4885MEN1 3601/4885
US-20150158834-A1 NOVEL BENZENESULFONAMIDE COMPOUNDS, METHOD FOR SYNTHESIZING SAME, AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS TYR, ARSA, NISCH HRH3 1598/4885ALDH1A1 318/4885MEN1 2111/4885
US-20170217989-A1 MACROCYCLIC BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C ZC3HAV1, HAVCR2, HCCS HRH3 4523/4885ALDH1A1 530/4885MEN1 4106/4885

“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.