SCHEMBL110823

SCHEMBL110823

NCc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.52
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
PNMT P11086 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ABAT P80404 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ENPP2 Q13822 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL29463242 1.00 LOXL2 (0.52) LOXL2ALDH1A1HTTPNMTHRH3
SCHEMBL15228987 0.89 LOXL2 (0.48) LOXL2ALDH1A1HTTPNMTHRH3
SCHEMBL8357024 0.84 TAAR1 (0.55) LOXL2TAAR1
SCHEMBL631580 0.82 TAAR1 (0.58) ALDH1A1PNMTTAAR1DAO
SCHEMBL21784991 0.81 TAAR1 (0.62) LOXL2HRH3TAAR1CYP17A1CYP11B1
SCHEMBL14451321 0.81 TAAR1 (0.62) LOXL2HRH3TAAR1CYP17A1CYP11B1
Hydrochloric Acid SCHEMBL1585557 0.80 TAAR1 (0.56) ALDH1A1PNMTTAAR1
SCHEMBL8281240 0.80 LOXL2 (0.48) LOXL2PNMTHRH3TAAR1ABAT
SCHEMBL2007285 0.80 LOXL2 (0.48) LOXL2PNMTHRH3TAAR1ABAT
SCHEMBL29467998 0.80 LOXL2 (0.48) LOXL2PNMTHRH3TAAR1ABAT

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 1469 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903168-A Pyrrolo [2,3-d ] thiazole derivatives, and preparation method and application thereof 南开大学 2024-04-19 CN claimed
EP-4069687-B1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF FORMULA (I) ASTRAZENECA AB (SE) 2024-01-31 EP claimed
US-20230046093-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF FORMULA (I) ASTRAZENECA AB (SE) 2023-02-16 US claimed
EP-4069687-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF FORMULA (I) Astrazeneca AB (SE) 2022-10-12 EP claimed
WO-2022131529-A1 METHOD FOR MANUFACTURING THREE-DIMENSIONAL POROUS ELECTRODE STRUCTURE HAVING PROTECTIVE FILM FORMED BY ELECTRODEPOSITION COATING, THREE-DIMENSIONAL POROUS ELECTRODE STRUCTURE MANUFACTURED THEREBY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME 한국전기연구원 2022-06-23 WO claimed
CN-111410738-A Preparation method of amine autocatalytic polyether polyol 山东蓝星东大有限公司 2020-07-14 CN claimed
WO-2020018456-A1 2D PEROVSKITE STABILIZED PHASE-PURE FORMAMIDINIUM PEROVSKITE SOLAR CELLS AND LIGHT EMITTING DIODES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-23 WO claimed
EP-2819766-B1 REMOVING SULPHUR OXIDES FROM A FLUID STREAM BASF SE (DE) 2016-05-18 EP claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
EP-2819766-A1 REMOVING SULPHUR OXIDES FROM A FLUID STREAM BASF SE (DE) 2015-01-07 EP claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 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 (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-20230046093-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF FORMULA (I) CYP2F1, CYP11B1, CYP4F11 LOXL2 3555/4885ALDH1A1 306/4885HTT 4033/4885

“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.