SCHEMBL2201934

SCHEMBL2201934

CCC(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
MAPT P10636 6/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 5/20 0.59
TSHR P16473 3/20 0.59
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALOX15 P16050 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
STAT1 P42224 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL10505311 0.98 HTT (0.61) HTTMAPTALDH1A1HPGDTSHR
SCHEMBL16564077 0.95 HTT (0.57) HTTMAPTALDH1A1HPGDTSHR
SCHEMBL18405991 0.89 HTT (0.52) HTTMAPTALDH1A1HPGDTSHR
SCHEMBL10605457 0.86 RAB9A (0.61) HTTMAPTALDH1A1HPGDTSHR
SCHEMBL11763488 0.86 RAB9A (0.61) HTTMAPTALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL10623684 0.85 RAB9A (0.60) HTTMAPTALDH1A1HPGDTSHR
SCHEMBL5233397 0.84 ALDH1A1 (0.54) HTTMAPTALDH1A1HPGDTSHR
SCHEMBL12828119 0.84 HDAC3 (0.61) MAPTALDH1A1HPGDTSHRHDAC8
SCHEMBL50003 0.84 GSK3B (0.71) MAPTALDH1A1HPGDHDAC8NPC1
SCHEMBL11379783 0.84 HDAC1 (0.57) HTTMAPTALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
EP-3389659-A1 COMBINATION PRODUCT Liverpool School of Tropical Medicine (GB) 2018-10-24 EP disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
CN-105164125-B 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives 豪夫迈·罗氏有限公司 2017-10-13 CN disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
US-6191182-B1 SUBJECTING P-HALOPHENYL ALKYL KETONE TO AMINOLYSIS WITH CYCLIC SECONDARY AMINE TO FORM CYCLIC AMINE-SUBSTITUTED PHENYL ALKYL KETONE; HALOGINATION AND REACTING WITH AMINE COMPOUND; STEVENS REARRANGEMENT UNDER BASIC CONDITION CIBA SPECIALTY CHEMCIALS CORPORATION 2001-02-20 US disclosed
US-5977357-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICAL CORPORATION (US) 1999-11-02 US disclosed
US-5795985-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-08-18 US disclosed
US-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 US 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 (5 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 HTT 3353/4885MAPT 1315/4885ALDH1A1 846/4885
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HTT 31/4885MAPT 1028/4885ALDH1A1 398/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HTT 2375/4885MAPT 92/4885ALDH1A1 2535/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 HTT 2375/4885MAPT 92/4885ALDH1A1 2535/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 HTT 2944/4885MAPT 1113/4885ALDH1A1 857/4885

“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.