SCHEMBL43013

SCHEMBL43013

NCc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
MAOB P27338 3/20 0.54
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
PNMT P11086 1/20 0.44
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
POLQ O75417 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
DPP4 P27487 1/20 0.41
DAO P14920 1/20 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
Methane SCHEMBL27580279 0.98 IDO1 (0.59) IDO1MAOBALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL6169962 0.98 IDO1 (0.62) IDO1MAOBALDH1A1POLBTDP1
Ethane SCHEMBL27580262 0.96 IDO1 (0.57) IDO1MAOBALDH1A1POLBTDP1
Butane SCHEMBL27559468 0.92 IDO1 (0.53) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL27559449 0.90 IDO1 (0.52) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL7525686 0.87 IDO1 (0.53) IDO1MAOBALDH1A1POLBTDP1
Propionaldehyde SCHEMBL27559430 0.85 IDO1 (0.47) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL8245274 0.83 DPP4 (0.52) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL29915506 0.82 MAOB (0.57) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL2095080 0.82 IDO1 (0.42) IDO1MAOBALDH1A1POLBTDP1

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 1358 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137551-A1 AMINE PURIFICATION IN A CARBON CAPTURE METHOD USING MOF BODIES SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2025-06-26 WO claimed
CN-119977906-A A-site cation-regulated halide perovskite, and preparation method and application thereof 西北大学 2025-05-13 CN claimed
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN claimed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-114824092-A Solar cell based on quasi two-dimensional-two-dimensional perovskite and preparation method thereof 河北工业大学 2022-07-29 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
CN-114420852-A Preparation method of pure-phase RP perovskite film 河北工业大学 2022-04-29 CN claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 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
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 (2 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885MAOB 217/4885ALDH1A1 1429/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885MAOB 247/4885ALDH1A1 3383/4885

“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.