SCHEMBL5013983

SCHEMBL5013983

NCCCSc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 1/20 0.64
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
MAOA P21397 2/20 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
Hydrochloric Acid SCHEMBL7362808 0.98 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL1111714 0.93 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL11152425 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL13192566 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL11159431 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL17261314 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8914849 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL376816 0.85 ALDH1A1 (0.70) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL420011 0.85 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL1931125 0.85 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436949-B Tetradentate ligand, metal complex, and preparation methods and applications thereof 上海巽田科技股份有限公司 2023-09-22 CN disclosed
CN-114436949-A Tetradentate ligand and metal complex, and preparation method and application thereof 上海巽田科技股份有限公司 2022-05-06 CN disclosed
EP-3102576-B1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS INC (US) 2019-04-17 EP disclosed
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
EP-2678349-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-01 EP disclosed
CN-103492404-A C-4' substituted macrolide derivatives TAISHO PHARMACEUTICAL CO LTD 2014-01-01 CN disclosed
WO-2012115256-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 WO disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
EP-0464509-A1 Biphosphonic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
US-4933369-A ANALGESICS G. D. SEARLE & CO. (US) 1990-06-12 US disclosed
EP-0361482-A1 Dimethyl tyrosyl amide sulfides, sulfoxides and sulfones G.D. Searle & Co. (US) 1990-04-04 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed
US-4415591-A MIXTURE WITH A MONOAMINE OXIDASE GEORGIA TECH RESEARCH INSTITUTE (US) 1983-11-15 US disclosed
US-4308283-A FUNGICIDES, BACTERICIDES INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1981-12-29 US disclosed
US-4260634-A PHENYLTHIOALKYLAMIDES, BACTERICIDES, FUNGICIDES INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1981-04-07 US disclosed
US-4246201-A Substituted N-(3-phenylthiopropyl)-3,3-diphenyl-propylamines possessing pharmacological activity ALFA FARMACEUTICI, S.P.A. (IT) 1981-01-20 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-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 ALDH1A1 4667/4885MAPK1 2555/4885CYP1A2 1987/4885

“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.