SCHEMBL693618

SCHEMBL693618

FC(F)(F)COc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GPR3 P46089 1/20 0.39
SCN5A Q14524 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9293840 0.92 MAPT (0.41) MAPTALDH1A1GPR3SCN5AMEN1
SCHEMBL29096689 0.92 MAPT (0.41) MAPTALDH1A1GPR3SCN5AMEN1
SCHEMBL498377 0.83 ALDH1A1 (0.56) MAPTALDH1A1GPR3SCN5AMEN1
SCHEMBL17134252 0.83 ACACB (0.32) MAPTALDH1A1
SCHEMBL872085 0.83 MAPT (0.33) MAPTALDH1A1USP2
SCHEMBL14795242 0.82 EPHX2 (0.40) MAPTALDH1A1KDM4EGAA
SCHEMBL17134459 0.81 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL5430591 0.79 HTT (0.43) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL5511608 0.79 USP2 (0.37) MAPTUSP2
Water SCHEMBL27843768 0.79 LMNA (0.49) MAPTALDH1A1GPR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US claimed
EP-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP claimed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN claimed
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US claimed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO claimed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN claimed
US-20220227732-A1 PYRIDINE CARBOXAMIDE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2022-07-21 US claimed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US claimed
WO-2021158792-A1 METHODS OF TREATING AUTOIMMUNE OR INFLAMMATORY DISEASES OR DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2021-08-12 WO claimed
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-05 US claimed
EP-0617031-A1 Orally active azole derivates J. URIACH & CIA. S.A. (ES) 1994-09-28 EP claimed
WO-1994007864-A1 CYANOPHENYLPYRAZOLINES AS PESTICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-14 WO claimed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP claimed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US claimed
EP-0233834-B1 INSECTICIDAL TRIFLUORMETHYL ALKANE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-22 EP claimed
US-4791123-A MITICIDES SCHERING AKT. (DE) 1988-12-13 US claimed
US-4743622-A FLUORO COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-10 US claimed
EP-0233834-A1 Insecticidal trifluormethyl alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-26 EP claimed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP claimed
EP-0191723-A1 Aromatic alkane derivatives, pesticides containing these compounds and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1986-08-20 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20220227732-A1 PYRIDINE CARBOXAMIDE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN1A, SCN2A MAPT 2273/4885ALDH1A1 2945/4885GPR3 1552/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 MAPT 2586/4885ALDH1A1 411/4885GPR3 3139/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 MAPT 1914/4885ALDH1A1 352/4885GPR3 4646/4885
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 MAPT 2586/4885ALDH1A1 411/4885GPR3 3139/4885

“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.