SCHEMBL5360280

SCHEMBL5360280

O=S(=O)(c1ccccc1)C1CNCC[N]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
HTR6 P50406 9/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4526571 0.84 HTR2C (0.37) ALDH1A1HTR6HTR2CHTR2B
SCHEMBL9940358 0.84 GAA (0.37) HTR6
SCHEMBL9131888 0.78 HTR6 (0.40) HTR6HTR2CHTR2B
SCHEMBL651876 0.76 KMT2A (0.38) ALDH1A1HSD17B10MAPT
SCHEMBL334411 0.76 HTR6 (0.45) HTR6
SCHEMBL336837 0.70 HTR2A (0.45) MAPTHTR6HTR2CHTR2A
SCHEMBL571789 0.69 SLC18A3 (0.41) ALDH1A1HSD17B10TDP1MAPT
SCHEMBL15533822 0.69 MAPT (0.40) ALDH1A1MAPTHTR6HTR2CHTR2B
Hydrochloric Acid SCHEMBL3547060 0.69 HTR2A (0.44) MAPTHTR6HTR2CHTR2A
SCHEMBL335650 0.69 APLNR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US claimed
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 US claimed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 US claimed
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 EP claimed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP claimed
WO-1996015792-A9 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES 1996-09-12 WO claimed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO claimed
WO-1996015792-A1 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO claimed
EP-3226858-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS Procomcure Biotech GmbH (AT) 2017-10-11 EP disclosed
WO-2016087615-A1 NOVEL IMIDAZOLE-BASED HETEROCYCLIC COMPOUNDS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
WO-2016087616-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
WO-2016087618-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
US-7173132-B2 Certain substituted 1-aryl-3-piperazine-1′-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2007-02-06 US disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO disclosed
WO-1996015792-A1 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO disclosed
US-5317103-A Migraine treatment MERCK SHARP & DOHME LIMITED (GB) 1994-05-31 US disclosed
US-5208248-A Hydroxytryptamine Receptor Agonists MERCK SHARPE & DOHME, LTD. (GB) 1993-05-04 US disclosed
EP-0494774-A1 Indazole-substituted fivemembered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1992-07-15 EP disclosed
EP-0438230-A2 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1991-07-24 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 (3 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-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP ALDH1A1 3122/4885HSD17B10 3029/4885TDP1 2681/4885
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 ALDH1A1 1799/4885HSD17B10 468/4885TDP1 1173/4885
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP ALDH1A1 3122/4885HSD17B10 3029/4885TDP1 2681/4885

“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.