SCHEMBL519211

SCHEMBL519211

O=C(O)c1ccc(OC(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TEAD4 Q15561 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
TSHR P16473 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
ADAM17 P78536 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAOB P27338 2/20 0.42
ATM Q13315 1/20 0.41
CPS1 P31327 1/20 0.41
PKM P14618 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL30281256 0.85 TAS2R14 (0.50) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL31280141 0.85 TAS2R14 (0.50) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL2279929 0.84 MAOB (0.55) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL2590126 0.84 ALDH1A1 (0.71) ALDH1A1KMT2ARARARARBMAOB
SCHEMBL17908054 0.81 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL3301071 0.80 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ATEAD4
SCHEMBL518632 0.80 PIM1 (0.53) MRGPRX4RARARARBPPARA
SCHEMBL20491473 0.80 KCNH2 (0.44) ALDH1A1MAPTMEN1KMT2AMRGPRX4
SCHEMBL20491344 0.80 KCNH2 (0.44) ALDH1A1MAPTMEN1KMT2AMRGPRX4
SCHEMBL1051747 0.79 CPS1 (0.63) ALDH1A1MEN1KMT2ACPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
EP-4061803-A1 PIPERAZINE COMPOUNDS FOR INHIBITING CPS1 Eisai R&D Management Co., Ltd. (JP) 2022-09-28 EP disclosed
CN-114981247-A Piperazine compounds for inhibiting CPS1 卫材R&D管理有限公司 2022-08-30 CN disclosed
WO-2021102300-A1 PIPERAZINE COMPOUNDS FOR INHIBITING CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-05-27 WO disclosed
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
EP-3126337-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-02-08 EP disclosed
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 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-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8435995-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277204-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-20120277431-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
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO 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 (9 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 ALDH1A1 350/4885MAPT 4105/4885MEN1 3445/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885MAPT 4105/4885MEN1 3445/4885
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS TNK1, TNNI3K, TNKS ALDH1A1 4024/4885MAPT 4439/4885MEN1 270/4885
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 ALDH1A1 1966/4885MAPT 4350/4885MEN1 3585/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 343/4885MAPT 4321/4885MEN1 3239/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885MAPT 4105/4885MEN1 3445/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885MAPT 4105/4885MEN1 3445/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG ALDH1A1 4279/4885MAPT 3573/4885MEN1 3089/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885MAPT 4144/4885MEN1 3382/4885

“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.