SCHEMBL17318488

SCHEMBL17318488

OCc1ccncc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HASPIN Q8TF76 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
DHODH Q02127 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLQ O75417 2/20 0.33
LATS1 O95835 1/20 0.33

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
SCHEMBL29525334 0.86 CD38 (0.40) SCN9AHASPINNPC1POLBDHODH
SCHEMBL1272312 0.86 CD38 (0.40) SCN9AHASPINNPC1POLBDHODH
SCHEMBL18986509 0.82 LOXL2 (0.57) LOXL2AOC1AOC3
SCHEMBL805511 0.82 ALDH1A1 (0.45) LOXL2AOC1AOC3ALDH1A1POLQ
SCHEMBL28458166 0.82 LOXL2 (0.38) LOXL2AOC1AOC3NPC1POLB
SCHEMBL25688536 0.82 LOXL2 (0.38) LOXL2AOC1AOC3NPC1POLB
SCHEMBL14586463 0.79 CYP11B1 (0.40) LOXL2AOC1AOC3CYP11B1CYP11B2
SCHEMBL17981893 0.79 LOXL2 (0.48) LOXL2AOC1AOC3
SCHEMBL21503642 0.79 CYP2E1 (0.44) LOXL2AOC1AOC3ALDH1A1LATS1
SCHEMBL21503641 0.77 PDE3B (0.39) LOXL2AOC1AOC3NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP 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-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
CN-117355303-A Compounds and their use for the treatment of neurodegenerative, degenerative and metabolic disorders 佛罗里达大学研究基金会公司 2024-01-05 CN 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
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US 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
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS ALMIRALL, S.A. (ES) 2021-06-24 US disclosed
WO-2021124279-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-06-24 WO disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 WO disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 WO disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
CN-85103731-A FLUOROPYRIDINYLMETHYL CYCLOPROPANECARBOXYLATE INSECTICIDES AND INTERMEDIATES 1987-01-07 CN 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-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 SCN9A 3776/4885LOXL2 3242/4885AOC1 4474/4885
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 SCN9A 2713/4885LOXL2 1148/4885AOC1 1327/4885
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS NLN, OAT, PC SCN9A 4141/4885LOXL2 1430/4885AOC1 575/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SCN9A 3776/4885LOXL2 3242/4885AOC1 4474/4885
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SCN9A 3776/4885LOXL2 3242/4885AOC1 4474/4885

“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.