SCHEMBL1004527

SCHEMBL1004527

Cl[Mg]Cc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
PNMT P11086 2/20 0.56
IDO1 P14902 3/20 0.50
CYP3A4 P08684 2/20 0.50
AGXT P21549 2/20 0.50
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
CHRM2 P08172 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.44
MAOB P27338 1/20 0.42

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
SCHEMBL1001014 0.80 PNMT (0.54) TAAR1PNMTIDO1CYP3A4AGXT
SCHEMBL31736930 0.76 TAAR1 (0.55) TAAR1IDO1AGXTMAOB
SCHEMBL1003357 0.76 TAAR1 (0.55) TAAR1IDO1AGXTMAOB
SCHEMBL559361 0.76 TAAR1 (0.55) TAAR1IDO1MAOB
SCHEMBL12050856 0.75 TAAR1 (0.74) TAAR1PNMTIDO1CYP3A4AGXT
SCHEMBL3300276 0.75 PNMT (0.65) TAAR1PNMTIDO1CYP3A4AGXT
Hydrochloric Acid SCHEMBL1007221 0.74 TAAR1 (0.53) TAAR1IDO1AGXTCHRM2MAOB
Water SCHEMBL8871710 0.74 TAAR1 (0.53) TAAR1IDO1AGXTMAOB
SCHEMBL28529008 0.73
SCHEMBL29355341 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-4381306-A Hydroxypropyl-triazole compounds, their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1983-04-26 US 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 (5 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TAAR1 319/4885PNMT 2911/4885IDO1 1289/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 TAAR1 319/4885PNMT 2911/4885IDO1 1289/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 TAAR1 336/4885PNMT 2926/4885IDO1 1352/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 TAAR1 336/4885PNMT 2926/4885IDO1 1352/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG TAAR1 3193/4885PNMT 541/4885IDO1 4697/4885

“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.