SCHEMBL75025

SCHEMBL75025

Fc1ccc(C2(Cn3cncn3)CO2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.48
CYP2C9 P11712 9/20 0.48
CYP2C19 P33261 7/20 0.47
CYP19A1 P11511 5/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
LMNA P02545 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ADRA1A P35348 1/20 0.47
CYP51A1 Q16850 1/20 0.47
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 3/20 0.44
THRB P10828 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP17A1 P05093 1/20 0.42
PTGS2 P35354 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP8B1 Q9UNU6 1/20 0.42
KMT2A Q03164 1/20 0.38
CYP2B6 P20813 1/20 0.36

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
SCHEMBL8718853 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL30121613 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8718832 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
Methane SCHEMBL7967605 0.99 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13916324 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL9198691 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL7639548 0.91 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL28002097 0.91 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL12186485 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL12186494 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1278755-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS Ranbaxy Laboratories, Limited (IN) 2003-01-29 EP claimed
WO-2001066551-A2 AZOLE COMPOUNDS AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS RANBAXY LABORATORIES LIMITED (IN) 2001-09-13 WO claimed
EP-0967210-A1 PROCESS FOR PREPARING BIOLOGICALLY ACTIVE DERIVATIVES OF 1,2,4-TRIAZOL AND INTERMEDIARIES USEFUL IN THIS PROCESS CENTRO GENESIS PARA LA INVESTIGACION, S.L. (ES) 1999-12-29 EP claimed
US-5861516-A Process for preparing an antifungal azole with hydrazino and amidrazone intermediates ZENECA LIMITED (GB) 1999-01-19 US claimed
EP-0775121-A1 PROCESS FOR PREPARING AN ANTIFUNGAL AZOLE WITH HYDRAZINO AND AMIDRAZONE INTERMEDIATES ZENECA LIMITED (GB) 1997-05-28 EP claimed
WO-1996004256-A1 PROCESS FOR PREPARING AN ANTIFUNGAL AZOLE WITH HYDRAZINO AND AMIDRAZONE INTERMEDIATES ZENECA LIMITED (GB) 1996-02-15 WO claimed
EP-4638448-A1 CONJUGATES COMPRISING ANTIFUNGALS AND CASEIN KINASE (CK1) INHIBITORS AND METHODS OF USE THEREOF Bright Angel Therapeutics Inc. (CA) 2025-10-29 EP disclosed
US-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2024-12-26 US disclosed
EP-4419531-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF Bright Angel Therapeutics Inc. (CA) 2024-08-28 EP disclosed
US-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2024-07-25 US disclosed
WO-2024130408-A1 CONJUGATES COMPRISING ANTIFUNGALS AND CASEIN KINASE (CK1) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2024-06-27 WO disclosed
CN-117658933-A 1,2, 4-triazolol substituted benzenesulfonamide derivatives 贵阳学院 2024-03-08 CN disclosed
US-4885294-A AGRICULTURE, HUMANS PFIZER INC. (US) 1989-12-05 US disclosed
EP-0329711-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1989-08-30 EP disclosed
EP-0321131-A2 Triazole antifungal agents Pfizer Limited (GB) 1989-06-21 EP disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 US disclosed
EP-0278105-A1 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane SCHERING CORPORATION (US) 1988-08-17 EP disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 WO 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 (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-20060252940-A1 CRYSTALLINE 1-[2-(2,4-DIFLUOROPHENYL)-OXIRANYL METHYL]-1H-1,2,4-TRIAZOLE CYP2F1, CYP4B1, CYP3A4 CYP3A4 3/4885CYP2C9 28/4885CYP2C19 21/4885
US-20240246920-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY RIF1, NAT1, POLR1C CYP3A4 19/4885CYP2C9 50/4885CYP2C19 25/4885
US-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF HSP90AB1, HSP90B1, HSP90AA1 CYP3A4 1741/4885CYP2C9 1333/4885CYP2C19 1151/4885

“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.