SCHEMBL5387622

SCHEMBL5387622

CC(=O)Nc1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
TP53 P04637 1/20 0.70
HIF1A Q16665 1/20 0.70
RAB9A P51151 3/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
PKM P14618 1/20 0.49

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
SCHEMBL1718725 0.90 ALDH1A1 (0.74) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL11116780 0.86 ALDH1A1 (0.72) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL4937716 0.85 ALDH1A1 (0.62) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL9078244 0.83 HSD17B3 (0.62) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL1273600 0.82 ALDH1A1 (1.00) ALDH1A1TP53HIF1ARAB9AMAPT
SCHEMBL6687580 0.81 HDAC3 (0.68) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL12855903 0.81 ALDH1A1 (0.66) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL24017724 0.80 ALDH1A1 (0.59) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL3527238 0.79 ALDH1A1 (0.64) ALDH1A1TP53HIF1ARAB9ANPC1
SCHEMBL28573978 0.78 L3MBTL1 (0.56) ALDH1A1TP53HIF1AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
EP-2842945-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2016-10-26 EP disclosed
EP-2842945-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2016-10-26 EP disclosed
CN-104395297-B Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO CO.,INC. (JP) 2016-05-04 CN disclosed
EP-2842945-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., INC. (JP) 2015-03-04 EP disclosed
EP-2842945-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., INC. (JP) 2015-03-04 EP disclosed
CN-104395297-A Sulfonamide derivatives and pharmaceutical use thereof AJINOMOTO KK 2015-03-04 CN disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US disclosed
WO-2013161904-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF 味の素株式会社 (JP) 2013-10-31 WO disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
US-5171858-A Preparation of certain 5,6-dihydro-8-phenyl-imidazo[1,5-a]pyridines SCHERING A.G. (DE) 1992-12-15 US disclosed
US-5171859-A Certain 2-aminomethyl-3-phenyl-pyridine intermediates for certain 8-phenyl-imidazo[1,5-a]pyridines SCHERING A.G. (DE) 1992-12-15 US disclosed
US-5026712-A Novel imidazo[1,5-a]pyridines, useful as cardiovascular and CNS agents SCHERING AG (DE) 1991-06-25 US disclosed
EP-0025288-B1 DERIVATIVES OF MONIC ACID, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION BEECHAM GROUP PLC (GB) 1983-04-06 EP disclosed
EP-0025288-A1 Derivatives of monic acid, processes for their preparation, compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-18 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 ALDH1A1 425/4885TP53 4336/4885HIF1A 3983/4885
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 ALDH1A1 1151/4885TP53 3988/4885HIF1A 2063/4885

“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.