SCHEMBL4863794

SCHEMBL4863794

Clc1ccc(Cc2cccs2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ABL1 P00519 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
IDO1 P14902 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRK1 P41145 2/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7410103 0.83 NPC1 (0.45) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL11314534 0.81 L3MBTL1 (0.46) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL646103 0.79 ABL1 (0.47) NPC1RAB9AMAPK1LMNAABL1
SCHEMBL7410398 0.79 ADCY10 (0.43) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL8916008 0.77 TAAR1 (0.40) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL8917246 0.76 TAAR1 (0.39) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL2097653 0.76 IDO1 (0.65) RAB9AMAPK1LMNAL3MBTL1ALDH1A1
SCHEMBL7408044 0.76 NPC1 (0.42) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL923302 0.73 MEN1 (0.53) NPC1RAB9AMAPK1LMNAL3MBTL1
SCHEMBL27959690 0.73 NPC1 (0.56) NPC1RAB9ALMNAABL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117019156-A Supported metal cluster catalyst and preparation method thereof 南京大学 2023-11-10 CN claimed
US-4661619-A TREATMENT OF AROMATIC MERCAPTAN WITH CARBON MONOXIDE AND WATER OR ALCOHOL AND COBALT CARBONYL CATALYST THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-04-28 US claimed
CN-112714649-B Cyclic dinucleotide derivatives and antibody drug conjugates thereof 第一三共株式会社 2024-07-02 CN disclosed
CN-106794174-B Compounds for the treatment of cancer GTX公司 2021-03-12 CN disclosed
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-7199106-B2 Lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 US disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO disclosed
EP-1644393-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
EP-0733044-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1997-03-05 EP disclosed
US-5569677-A TREATING PSORIASIS AND INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1996-10-29 US disclosed
EP-0732919-A1 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP disclosed
EP-0733044-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015752-A1 DIPHENYL-2-PROPENOATES AND HOMOLOGS THEREOF USEFUL FOR TREATING DISEASES ASSOCIATED WITH LEUKOTRIENE B4 SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed
WO-1995015950-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-15 WO disclosed
EP-0146291-B1 PROCESS FOR THE PRODUCTION OF CARBOXYLIC ACIDS AND/OR ESTERS THEREOF The British Petroleum Company p.l.c. (GB) 1988-01-13 EP disclosed
US-4661619-A TREATMENT OF AROMATIC MERCAPTAN WITH CARBON MONOXIDE AND WATER OR ALCOHOL AND COBALT CARBONYL CATALYST THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-04-28 US disclosed
EP-0146291-A1 Process for the production of carboxylic acids and/or esters thereof The British Petroleum Company p.l.c. (GB) 1985-06-26 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 (1 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-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC NPC1 1694/4885RAB9A 799/4885MAPK1 3955/4885

“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.