SCHEMBL108531

SCHEMBL108531

NNC(=O)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.54
SNCA P37840 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALPL P05186 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC3 O15379 1/20 0.46
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 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
SCHEMBL246382 0.84 CES2 (0.61) CES2CES1GAARAB9ANPC1
SCHEMBL109231 0.82 ALDH1A1 (0.67) CES2CES1L3MBTL1SNCAGAA
SCHEMBL12462063 0.82 HDAC3 (0.54) CES2CES1L3MBTL1SNCAGAA
SCHEMBL12687871 0.82 CES2 (0.63) CES2CES1L3MBTL1SNCAGAA
SCHEMBL10390511 0.81 CES2 (0.57) CES2CES1L3MBTL1SNCAGAA
SCHEMBL20447645 0.81 KDM4E (0.68) L3MBTL1GAARAB9ANPC1ALDH1A1
SCHEMBL5325941 0.81 CES2 (0.57) CES2CES1L3MBTL1SNCAGAA
SCHEMBL15047177 0.81 LOXL2 (0.55) RAB9ANPC1ALDH1A1GFERKDM4E
SCHEMBL793201 0.81 DGAT1 (0.65) GAARAB9ANPC1ALDH1A1GFER
SCHEMBL24013508 0.81 ALDH1A1 (0.46) CES2CES1L3MBTL1GAAALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2025-05-29 US disclosed
EP-4486739-A1 MODULATORS OF ACKR3 AND USES THEREOF InterAx Biotech AG (CH) 2025-01-08 EP disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023166190-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2023-09-07 WO disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
CN-110546140-B Selective HDAC6 inhibitors 意大发马克股份公司 2023-05-16 CN disclosed
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001077111-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-10-18 WO disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed
EP-1049696-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-11-08 EP disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 WO disclosed
WO-1999037644-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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 (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-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 CES2 2229/4885CES1 1537/4885L3MBTL1 4865/4885
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF ACKR3, PROKR2, PROKR1 CES2 3096/4885CES1 2441/4885L3MBTL1 4537/4885

“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.