SCHEMBL26907129

SCHEMBL26907129

O=C(c1ccncc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.60
PLOD2 O00469 1/20 0.57
PLOD3 O60568 1/20 0.57
PLOD1 Q02809 1/20 0.57
NAPRT Q6XQN6 1/20 0.52
MLYCD O95822 3/20 0.50
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL28349033 0.82 PLOD2 (0.48) CES1PLOD2PLOD3PLOD1NAPRT
Isonicotinic Acid SCHEMBL28101509 0.77 NAPRT (0.74) PLOD2PLOD3PLOD1NAPRTLTA4H
SCHEMBL1078685 0.76 CES1 (0.67) CES1MLYCDMEN1KMT2A
SCHEMBL803474 0.76 NAPRT (0.52) PLOD2PLOD3PLOD1NAPRTLTA4H
SCHEMBL21806049 0.76 HCAR2 (0.57) CES1PLOD2PLOD3PLOD1MLYCD
SCHEMBL2851867 0.76 PLOD2 (0.51) PLOD2PLOD3PLOD1NAPRTMLYCD
SCHEMBL33083 0.75 CES1 (1.00) CES1NAPRTMLYCDALDH1A1ACHE
Benzene SCHEMBL27672585 0.75 CES1 (1.00) CES1NAPRTMLYCDALDH1A1ACHE
SCHEMBL19056956 0.75 CES1 (0.65) CES1MLYCD
SCHEMBL12188736 0.74 NAPRT (0.50) PLOD2PLOD3PLOD1NAPRTLTA4H

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
EP-4743455-A1 SARM1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP disclosed
WO-2025012296-A1 SARM1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
WO-2024137720-A2 PIPERIDINIUM-CONTAINING ANION EXCHANGE POLYMERS VERSOGEN, INC. (US) 2024-06-27 WO disclosed
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-05-30 US disclosed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO disclosed
EP-4284372-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS University of Florida Research Foundation, Incorporated (US) 2023-12-06 EP disclosed
WO-2022165173-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-08-04 WO 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 (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-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS NLN, OAT, PC CES1 563/4885PLOD2 1334/4885PLOD3 1297/4885

“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.