SCHEMBL187563

SCHEMBL187563

Cl[Mg]Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
PNMT P11086 1/20 0.52
TAAR1 Q96RJ0 4/20 0.48
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL2045883 0.80 IDO1 (0.52) IDO1PNMTTAAR1PKMLMNA
SCHEMBL5251791 0.73 GABRA1 (0.41) LMNACYP2D6
SCHEMBL31736936 0.73 TAAR1 (0.46) IDO1TAAR1LMNATSHRCYP1A2
SCHEMBL809287 0.73 TAAR1 (0.46) TAAR1LMNATSHRCHRM2
SCHEMBL2047813 0.73 TAAR1 (0.48) IDO1TAAR1PKMLMNAAOC3
SCHEMBL672407 0.73 IDO1 (0.62) IDO1PNMTTAAR1PKMLMNA
SCHEMBL29519238 0.73 IDO1 (0.62) IDO1PNMTTAAR1PKMLMNA
SCHEMBL6740216 0.73 TAAR1 (0.71) IDO1PNMTTAAR1PKMLMNA
SCHEMBL4238179 0.72 TAAR1 (0.46) PNMTTAAR1LMNATSHRNPC1
SCHEMBL5047988 0.71 TP53 (0.44) IDO1LMNATSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590499-B Continuous reaction device and synthesis method of prothioconazole intermediate 泰州百力化学股份有限公司 2024-02-06 CN claimed
CN-110590499-A Continuous reaction device and synthesis method of prothioconazole intermediate 泰州百力化学股份有限公司 2019-12-20 CN claimed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-12559466-B2 Process for preparation of intermediates UPL LTD (IN) 2026-02-24 US disclosed
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 CN disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-4385329-A2 IMPROVED PROCESS FOR PREPARATION OF INTERMEDIATES UPL Ltd (IN) 2024-06-19 EP disclosed
CN-110590499-B Continuous reaction device and synthesis method of prothioconazole intermediate 泰州百力化学股份有限公司 2024-02-06 CN disclosed
CN-116375658-A Preparation method of prothioconazole 宁夏苏融达化工有限公司 2023-07-04 CN disclosed
EP-0011770-B1 FLUORENYL-AZOLYLMETHYL-CARBINOLS, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND METHOD FOR PREPARING OF THESE MEDICAMENTS BAYER AG (DE) 1981-10-14 EP disclosed
EP-0005250-B1 HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-08-12 EP disclosed
US-4246274-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4239765-A ANTIMYCOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
EP-0011768-A1 Hydroxypropyl triazoles, process for their preparation and medicaments containing these compounds BAYER AG (DE) 1980-06-11 EP disclosed
EP-0011770-A1 Fluorenyl-azolylmethyl-carbinols, process for their preparation, medicaments containing them and method for preparing of these medicaments BAYER AG (DE) 1980-06-11 EP disclosed
EP-0005250-A2 Hydroxypropyl imidazoles, their preparation and medicaments containing them BAYER AG (DE) 1979-11-14 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-12559466-B2 Process for preparation of intermediates CBR1, POR, CYP2E1 IDO1 321/4885PNMT 445/4885TAAR1 500/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 IDO1 1289/4885PNMT 2911/4885TAAR1 319/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG IDO1 4697/4885PNMT 541/4885TAAR1 3193/4885

“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.