SCHEMBL978712

SCHEMBL978712

O=C(O)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
MAPT P10636 5/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR4A2 P43354 3/20 0.49
KMT2A Q03164 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
HTT P42858 2/20 0.46
KMO O15229 1/20 0.46
BRAF P15056 2/20 0.46

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
SCHEMBL10833064 0.89 LMNA (0.56) AKR1C3MAPTALDH1A1TSHRHSD17B10
SCHEMBL10558279 0.89 AKR1C3 (0.50) AKR1C3MAPTALDH1A1TSHRHSD17B10
SCHEMBL4565279 0.89 AKR1C3 (0.50) AKR1C3MAPTALDH1A1TSHRHSD17B10
SCHEMBL1619240 0.85 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5866992 0.85 MAPT (0.49) MAPTALDH1A1TSHRHSD17B10NPC1
SCHEMBL29459930 0.84 MRGPRX4 (0.61) AKR1C3NPC1RAB9ANR4A2KMT2A
SCHEMBL496275 0.84 MRGPRX4 (0.61) AKR1C3NPC1RAB9ANR4A2KMT2A
SCHEMBL4035515 0.83 MAPT (0.56) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30744738 0.82 MRGPRX4 (0.63) AKR1C3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1965898 0.82 MRGPRX4 (0.63) AKR1C3MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
EP-2807162-B1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma AG (DE) 2017-06-07 EP disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
US-20060293340-A1 2-Aminopyrimidine derivatives as raf kinase inhibitors NOVARTIS AG (CH) 2006-12-28 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1635835-A1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110452-A1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2004-12-23 WO disclosed
US-4832879-A INTERMEDIATES FOR HERBICIDES BASF AKTIENGESELLCHAFT (DE) 1989-05-23 US disclosed
US-RE32087-E 4H-3,1-Benzoxazine derivatives BASF AKTIENGESELLSCHAFT (DE) 1986-02-25 US disclosed
EP-0084893-A2 4H-3,1-Benzoxazin derivatives, methods for their preparation, and their use for combatting undesirable vegetation BASF Aktiengesellschaft (DE) 1983-08-03 EP disclosed
US-4315766-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US 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 (3 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 AKR1C3 535/4885MAPT 1770/4885ALDH1A1 1448/4885
US-20060293340-A1 2-Aminopyrimidine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF AKR1C3 447/4885MAPT 4216/4885ALDH1A1 459/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A AKR1C3 620/4885MAPT 3135/4885ALDH1A1 1729/4885

“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.