SCHEMBL7794191

SCHEMBL7794191

CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.49
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
DHODH Q02127 2/20 0.45
KDR P35968 2/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
EPHX2 P34913 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PTGFR P43088 1/20 0.41
BRAF P15056 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
IGF2BP2 Q9Y6M1 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL31135377 0.89 BRAF (0.47) CYP17A1KCNQ3KCNQ2KDRGAA
SCHEMBL5563026 0.88 KCNQ3 (0.45) CYP17A1KCNQ3KCNQ2GAAALDH1A1
SCHEMBL29739447 0.87 DHODH (0.47) DHODHKDRGAAALDH1A1POLB
SCHEMBL6754908 0.86 KCNQ3 (0.46) CYP17A1KCNQ3KCNQ2GAAALDH1A1
SCHEMBL7790613 0.86 CYP17A1 (0.49) CYP17A1GAAALDH1A1POLBRXFP1
SCHEMBL7665668 0.86 KCNQ3 (0.46) KCNQ3KCNQ2DHODHKDRGAA
SCHEMBL27889545 0.86 RAB9A (0.51) CYP17A1GAAALDH1A1POLBNPC1
SCHEMBL17295021 0.84 IGF2BP2 (0.46) KCNQ3KCNQ2GAAALDH1A1POLB
SCHEMBL687475 0.84 IGF2BP2 (0.58) KCNQ3KCNQ2DHODHGAAALDH1A1
SCHEMBL27534609 0.83 CYP17A1 (0.52) CYP17A1KDRGAAALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680335-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2026-01-21 EP disclosed
US-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
WO-2024196786-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-09-26 WO disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 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 (8 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP17A1 94/4885KCNQ3 754/4885KCNQ2 666/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP17A1 94/4885KCNQ3 754/4885KCNQ2 666/4885
US-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 CYP17A1 2631/4885KCNQ3 2200/4885KCNQ2 2653/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP17A1 81/4885KCNQ3 648/4885KCNQ2 555/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP17A1 76/4885KCNQ3 628/4885KCNQ2 547/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP17A1 94/4885KCNQ3 754/4885KCNQ2 666/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP17A1 94/4885KCNQ3 754/4885KCNQ2 666/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B CYP17A1 95/4885KCNQ3 782/4885KCNQ2 699/4885

“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.