SCHEMBL1780869

SCHEMBL1780869

BrCCSc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
MAPK1 P28482 1/20 0.70
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
RECQL P46063 1/20 0.42
MAOA P21397 2/20 0.41

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
SCHEMBL4742998 0.85 ALDH1A1 (0.64) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL7392714 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL776647 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL7013428 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL7393481 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL7388114 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL1931117 0.78
SCHEMBL420011 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL1931125 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL9478244 0.77 SMN1; SMN2 (0.47) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
US-11420963-B2 Rebamipide prodrugs, preparation method and use thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2022-08-23 US disclosed
EP-2865669-B1 NOVEL REBAMIPIDE PRODRUG, METHOD FOR PRODUCING SAME, AND USAGE THEREOF SAMJIN PHARM CO LTD (KR) 2021-04-28 EP disclosed
CN-107253935-B Hydrazine compound, method for producing polymerizable compound, and method for using hydrazine compound as raw material for producing polymerizable compound 日本瑞翁株式会社 2020-10-09 CN disclosed
EP-3399071-B1 SNAG ALLOY PLATING LIQUID MITSUBISHI MATERIALS CORP (JP) 2020-09-16 EP disclosed
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
EP-3399071-A1 SNAG ALLOY PLATING LIQUID Mitsubishi Materials Corporation (JP) 2018-11-07 EP disclosed
CN-108047963-A Photocuring glue 张家港康得新光电材料有限公司 2018-05-18 CN disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
EP-0085265-A1 Process for the preparation of alpha,alpha-difluoroalkoxy or alpha,alpha-difluoroalkylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-08-10 EP disclosed
US-4296128-A ANTITHROMBOSIS AGENTS CIBA-GEIGY CORPORATION (US) 1981-10-20 US disclosed
EP-0034784-A1 3,4,5-trihydroxypiperidine derivatives, process for their preparation, their use as medicines and in animal feeding BAYER AG (DE) 1981-09-02 EP disclosed
US-4277559-A FOR MASKING UNWANTED BLUE ABSORPTION OF MAGENTA DYES WITHOUT PRODUCING EXCESSIVE FOG AGFA-GEVAERT N.V. (BE) 1981-07-07 US disclosed
US-4105781-A ANTIALLERGENS FOR TREATMENT OF ASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-08-08 US disclosed
US-4049664-A ANTIALLERGENS, ANTIASTHMATICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-09-20 US disclosed
US-4007277-A Phenyl- and 1-naphthyl-thiodeoxynupharidin-6-α-ols RESEARCH CORPORATION (US) 1977-02-08 US disclosed
US-3965122-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-22 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 (4 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN ALDH1A1 862/4885MAPK1 3913/4885CYP1A2 3619/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN ALDH1A1 862/4885MAPK1 3913/4885CYP1A2 3619/4885
US-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY ALDH1A1 1816/4885MAPK1 3795/4885CYP1A2 585/4885
US-11420963-B2 Rebamipide prodrugs, preparation method and use thereof SI, CYP2A7, MLN ALDH1A1 908/4885MAPK1 2826/4885CYP1A2 54/4885

“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.