SCHEMBL2222178

SCHEMBL2222178

CC(=O)C(Cl)C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 4/20 1.00
GAA P10253 3/20 1.00
ATM Q13315 3/20 1.00
LMNA P02545 2/20 1.00
HSP90AA1 P07900 2/20 0.69
GPR55 Q9Y2T6 2/20 0.69
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
HSD17B10 Q99714 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
POLB P06746 3/20 0.53
RXFP1 Q9HBX9 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
SCHEMBL5947039 0.85 MAPT (0.72) MAPTALDH1A1GAAATMLMNA
SCHEMBL9518770 0.84 MAPT (0.72) MAPTALDH1A1GAAATMLMNA
SCHEMBL8752464 0.83 MAPT (0.71) MAPTALDH1A1GAAATMLMNA
SCHEMBL8930226 0.83 GAA (0.71) MAPTALDH1A1GAAATMLMNA
SCHEMBL10698727 0.81 MAPT (1.00) MAPTALDH1A1GAAATMLMNA
SCHEMBL8752461 0.81 MAPT (0.68) MAPTALDH1A1GAAATMLMNA
SCHEMBL9470686 0.81 MAPT (0.68) MAPTALDH1A1GAAATMLMNA
SCHEMBL8752426 0.80 MAPT (0.67) MAPTALDH1A1GAAATMLMNA
SCHEMBL935298 0.80 CYP1A2 (0.68) MAPTALDH1A1GAAATMLMNA
SCHEMBL2516508 0.80 ALDH1A1 (0.67) MAPTALDH1A1GAAATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746579-A Preparation method of high level-dyeing-property-based dye product 宁夏保隆科技有限公司 2023-03-07 CN claimed
CN-114195671-A Asymmetric malonanilide compound and synthesis method thereof 河南师范大学 2022-03-18 CN claimed
CN-103613510-B Simple method for dehalogenating alpha-halogenated compounds UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN claimed
CN-103396680-B Preparation method for producing acid yellow based on acid-free high-temperature diazotization method ZHEJIANG DAJING CHEMICAL CO LTD 2014-11-12 CN claimed
CN-103613510-A Simple method for dehalogenating alpha-halogenated compounds UNIV ZHEJIANG TECHNOLOGY 2014-03-05 CN claimed
CN-103396680-A Preparation method for producing acid yellow based on acid-free high-temperature diazotization method ZHEJIANG DAJING CHEMICAL CO LTD 2013-11-20 CN claimed
JP-2006520397-A 2006-09-07 JP claimed
US-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-29 US claimed
EP-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP claimed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
WO-1995034529-A1 PREPARATION OF ALPHA-CHLOROACETOACETANILIDE COMPOUNDS UNIROYAL CHEMICAL COMPANY, INC. (US) 1995-12-21 WO claimed
US-5442115-A Chlorination of acetoacetanilide and derivatives in presence of water and organic solvents mixture UNIROYAL CHEMICAL COMPANY, INC. (US) 1995-08-15 US claimed
US-4064140-A FROM A CHLOROACETO-ACETANILIDE AND CYANIDE IONS CIBA-GEIGY CORPORATION (US) 1977-12-20 US claimed
CN-115746579-A Preparation method of high level-dyeing-property-based dye product 宁夏保隆科技有限公司 2023-03-07 CN disclosed
EP-3470472-B1 NEW METHINE DYES LANXESS DEUTSCHLAND GMBH (DE) 2022-12-07 EP disclosed
CN-114605764-A Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet 积水化学工业株式会社 2022-06-10 CN disclosed
US-4042577-A POLYESTERS, POLYAMIDES, CELLULOSE ACETATES SANDOZ LTD. (CH) 1977-08-16 US disclosed
US-4033963-A Naphthoquinone derivatives SANDOZ LTD. (CH) 1977-07-05 US disclosed
US-4014679-A HERBICIDES ROUSSEL-UCLAF (FR) 1977-03-29 US disclosed
US-3931163-A PIGMENTS, DISPERSE DYES SANDOZ LTD., (SANDOZ AG) (CH) 1976-01-06 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 (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-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor ADH1A, GRHPR, AKR1C2 MAPT 3116/4885ALDH1A1 48/4885GAA 2995/4885

“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.