SCHEMBL1874758

SCHEMBL1874758

O=C(c1ccc(F)cc1)C(F)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 11/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
CYP26A1 O43174 2/20 0.39
LTA4H P09960 1/20 0.39
PDE4B Q07343 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 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
SCHEMBL10709515 0.86 CYP19A1 (0.55) HSP90AA1KMT2ACYP19A1
SCHEMBL10712303 0.86 HSP90AA1 (0.46) HSP90AA1KMT2ACYP19A1CYP26A1CES2
SCHEMBL10711903 0.86 CYP19A1 (0.53) HSP90AA1KMT2ACYP19A1FAAHMGLL
SCHEMBL11017338 0.84 GSK3B (0.47) HSP90AA1KMT2ACYP19A1CYP26A1CES2
SCHEMBL10361474 0.83 HSP90AA1 (0.49) HSP90AA1KMT2ACYP19A1FAAHMGLL
Hydrochloric Acid SCHEMBL9792757 0.82 HSP90AA1 (0.48) HSP90AA1KMT2ACYP19A1FAAHMGLL
SCHEMBL11124433 0.81 CYP19A1 (0.48) HSP90AA1KMT2ACYP19A1CYP26A1
SCHEMBL10454877 0.80 CES2 (0.46) HSP90AA1KMT2ACYP19A1FAAHMGLL
SCHEMBL10709129 0.80 CYP19A1 (0.41) HSP90AA1KMT2ACYP19A1
SCHEMBL10764624 0.79 CYP3A4 (0.50) HSP90AA1KMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217795-B Antibacterial medicine and preparation method thereof 华侨大学 2023-07-18 CN claimed
CN-111217795-A Antibacterial medicine and preparation method thereof 华侨大学 2020-06-02 CN claimed
EP-2303265-B1 STABLE TOPICAL FORMULATION COMPRISING VORICONAZOLE GLENMARK PHARMACEUTICALS LTD (IN) 2014-12-10 EP claimed
US-20110105448-A1 Stable Topical Formulation Comprising Voriconazole GLENMARK PHARMACEUTICALS LIMITED (IN) 2011-05-05 US claimed
US-20060252940-A1 CRYSTALLINE 1-[2-(2,4-DIFLUOROPHENYL)-OXIRANYL METHYL]-1H-1,2,4-TRIAZOLE DR. REDDY'S LABORATORIES, INC. 2006-11-09 US claimed
CN-117384136-A NO donor type antifungal compound and preparation method and application thereof 中国药科大学 2024-01-12 CN disclosed
CN-111217795-B Antibacterial medicine and preparation method thereof 华侨大学 2023-07-18 CN disclosed
CN-111647019-B Triazole compound, preparation method and application thereof in antifungal drugs 青岛大学 2023-02-07 CN disclosed
CN-114829354-A Recovery method of voriconazole enantiomer 刘杰 2022-07-29 CN disclosed
WO-2021127965-A1 METHOD FOR RECYCLING VORICONAZOLE ENANTIOMER 刘杰 2021-07-01 WO disclosed
CN-111647019-A Triazole compound, preparation method and application thereof in antifungal drugs 青岛大学 2020-09-11 CN disclosed
CN-111217795-A Antibacterial medicine and preparation method thereof 华侨大学 2020-06-02 CN disclosed
EP-1231210-A2 Azole antifungal agents, processes for the preparation thereof, and intermediates Eisai Co., Ltd. (JP) 2002-08-14 EP disclosed
US-5792781-A EFFECTIVE AGAINST DERMATOMYCOSIS/VISCEROMYCOSIS CAUSED BY FUNGI, I.E., CANDIDA ALBICANS EISAI CO., LTD. (JP) 1998-08-11 US disclosed
US-5789429-A FUNGICIDE EISAI CO., LTD. (JP) 1998-08-04 US disclosed
US-5648372-A TRIAZOLES EISAI CO., LTD. (JP) 1997-07-15 US disclosed
EP-0667346-A2 Azole antifungal agents, process for the preparation there of and intermediates Eisai Co., Ltd. (JP) 1995-08-16 EP disclosed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP disclosed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP 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-20060252940-A1 CRYSTALLINE 1-[2-(2,4-DIFLUOROPHENYL)-OXIRANYL METHYL]-1H-1,2,4-TRIAZOLE CYP2F1, CYP4B1, CYP3A4 HSP90AA1 2735/4885KMT2A 2448/4885CYP19A1 195/4885
US-20110105448-A1 Stable Topical Formulation Comprising Voriconazole ERG28, CYP51A1, PIK3C3 HSP90AA1 705/4885KMT2A 3269/4885CYP19A1 734/4885

“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.