SCHEMBL118519

SCHEMBL118519

Fc1ccc(CBr)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.45
RIPK1 Q13546 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DAO P14920 3/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 1/20 0.36
PIM1 P11309 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL29410646 1.00 HTT (0.47) HTTALDH1A1RIPK1CYP17A1CYP11B1
SCHEMBL1183043 0.97 HTT (0.46) HTTALDH1A1RIPK1CYP17A1CYP11B1
SCHEMBL8098955 0.81 CYP17A1 (0.56) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL3120224 0.80 DAO (0.44) HTTALDH1A1RIPK1CYP17A1CYP11B1
SCHEMBL29447904 0.80 DAO (0.44) HTTALDH1A1RIPK1CYP17A1CYP11B1
SCHEMBL23607776 0.80 HTT (0.42) HTTALDH1A1RIPK1CYP17A1CYP11B1
SCHEMBL29418197 0.80 CYP1A2 (0.53) HTTALDH1A1TRPA1TSHRMAOA
SCHEMBL333551 0.80 CYP1A2 (0.53) HTTALDH1A1TRPA1TSHRMAOA
SCHEMBL2009460 0.80 ALDH1A1 (0.35) HTTALDH1A1TRPA1TSHRCYP1A2
SCHEMBL29987766 0.80 ALDH1A1 (0.35) HTTALDH1A1TRPA1TSHRCYP1A2

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 1651 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119465288-A Anion exchange membrane, preparation method and application thereof, and electrolysis device 氢和元泰(常州)新材料科技有限公司 2025-02-18 CN claimed
CN-118063504-A Fluoro phenyl phosphate compound, perovskite thin film, perovskite solar cell, preparation method, electric equipment and application 天合光能股份有限公司 2024-05-24 CN claimed
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN claimed
CN-111004228-B GSK-3 beta/ChE double inhibitor and preparation method and application thereof 中国药科大学 2023-05-23 CN claimed
CN-112047928-B Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof 中国药科大学 2022-09-23 CN claimed
WO-2021047572-A1 GSK-3β/CHE DOUBLE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2021-03-18 WO claimed
CN-112047928-A Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN claimed
CN-111004228-A GSK-3 β/ChE dual inhibitor and preparation method and application thereof 中国药科大学 2020-04-14 CN claimed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 US claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 US claimed
CN-108218896-A A kind of Thiazolopyrimidine HIV-1 reverse transcriptase inhibitor and its preparation method and application 山东大学 2018-06-29 CN claimed
CN-108218890-A A kind of five yuan of non-aromatic ring miazines HIV-1 reverse transcriptase inhibitor and its preparation method and application 山东大学 2018-06-29 CN claimed
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US claimed
CN-106831814-A A kind of thieno [3,2 d] RTIs of miazines HIV 1 and its preparation method and application 山东大学 2017-06-13 CN claimed
CN-104530078-B Thieno [3, 2-d] pyrimidine derivative and preparation method and application thereof 山东大学 2017-03-22 CN claimed
CN-106117242-A Tetrahydric thiapyran miazines derivative and preparation method and application 山东大学 2016-11-16 CN claimed
CN-105461585-A 3-aminobenzamide derivative as beta-lactam auxiliary antibiotic, preparation method and application UNIV HONG KONG POLYTECHNIC 2016-04-06 CN claimed
CN-104530078-A Thieno [3, 2-d] pyrimidine derivative and preparation method and application thereof UNIV SHANDONG 2015-04-22 CN claimed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP claimed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO claimed

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-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT HTT 1717/4885ALDH1A1 931/4885RIPK1 2788/4885
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof BCAT2, SBDS, BCAT1 HTT 4840/4885ALDH1A1 2169/4885RIPK1 4744/4885
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT HTT 1717/4885ALDH1A1 931/4885RIPK1 2788/4885

“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.