Sugi Predict

Sugi Predict / Compounds / SCHEMBL9518702

SCHEMBL9518702

SCHEMBL9518702

O=C(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PDE4D Q08499 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL29622955 1.00 LMNA (0.56) LMNAPKMHTTMAPTPOLB
SCHEMBL9785194 0.91 LMNA (0.48) LMNAPKMHTTMAPTPOLB
SCHEMBL15756547 0.88 PDE4D (0.49) LMNAPKMHTTMAPTPOLB
SCHEMBL29110121 0.87 LMNA (0.55) LMNAPKMHTTMAPTPOLB
SCHEMBL14645540 0.87 LMNA (0.47) LMNAPKMHTTMAPTPOLB
SCHEMBL30172138 0.87 LMNA (0.47) LMNAPKMHTTMAPTPOLB
SCHEMBL2550587 0.86 LMNA (0.67) LMNAPKMHTTMAPTPOLB
SCHEMBL19994248 0.83 LMNA (0.48) LMNAPKMHTTMAPTPOLB
SCHEMBL15723513 0.83 LMNA (0.46) LMNAPKMHTTMAPTPOLB
SCHEMBL15732303 0.80 MAPT (0.51) LMNAPKMHTTMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759767-B2 Compositions comprising a triazole compound BASF Agro B.V. (NL) 2020-09-01 — — US disclosed
EP-3498098-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2019-06-19 — — EP disclosed
EP-2744792-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKYNYLOXY-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2016-10-12 — — EP disclosed
EP-2744790-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-2-ALKYNYL/ALKENYL-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2016-04-27 — — EP disclosed
US-9295259-B2 Fungicidal substituted 1-{2-[2-halo-4-(4-halogen-phenoxy)-phenyl]-2-alkoxy-3-methyl-butyl}-1H [1,2,4]triazole compounds BASF SE (DE) 2016-03-29 — — US disclosed
US-9247747-B2 Fungicidal substituted 1-{2-[2-halo-4-(4-halogen-phenoxy)-phenyl]-2-alkoxy-2-alkynyl/alkenyl-ethyl}-1H-[1,2,4]triazole compounds BASF SE (DE) 2016-02-02 — — US disclosed
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND BASF Agro B.V. (NL) 2015-12-03 — — US disclosed
US-9173402-B2 Fungicidal alkyl-substituted 2[2-chloro-4-(4-chioro-phenoxy)-phenyl]-1[1,2,4]triazol-1-yl-ethanol compounds BASF SE (DE) 2015-11-03 — — US disclosed
US-9173402-B2 Fungicidal alkyl-substituted 2[2-chloro-4-(4-chioro-phenoxy)-phenyl]-1[1,2,4]triazol-1-yl-ethanol compounds BASF SE (DE) 2015-11-03 — — US disclosed
US-9173402-B2 Fungicidal alkyl-substituted 2[2-chloro-4-(4-chioro-phenoxy)-phenyl]-1[1,2,4]triazol-1-yl-ethanol compounds BASF SE (DE) 2015-11-03 — — US disclosed
US-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds BASF SE (DE) 2014-05-08 — — US disclosed
US-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds BASF SE (DE) 2014-05-08 — — US disclosed
US-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds BASF SE (DE) 2014-05-08 — — US disclosed
WO-2013024081-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-HEXYL}-1H [1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2013-02-21 — — WO disclosed
WO-2013024083-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-2-ALKYNYL/ALKENYL-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2013-02-21 — — WO disclosed
WO-2013010862-A1 FUNGICIDAL ALKYL-SUBSTITUTED 2-[2-CHLORO-4-(4-CHLORO-PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2013-01-24 — — WO disclosed
WO-2013010894-A1 FUNGICIDAL PHENYLALKYL-SUBSTITUTED 2-[2-CHLORO-4-(4-CHLORO-PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2013-01-24 — — WO disclosed
EP-0440950-B1 Halogenallyl-azolyl derivatives BAYER AG (DE) 1993-11-03 — — EP disclosed
US-5143932-A Plant protection BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 — — US disclosed
EP-0440950-A2 Halogenallyl-azolyl derivatives BAYER AG (DE) 1991-08-14 — — 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-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds CYP2E1, CYP1A1, TH LMNA 4374/4885PKM 3368/4885HTT 3448/4885
US-20150344445-A1 COMPOSITIONS COMPRISING A TRIAZOLE COMPOUND CYP1B1, CYP3A5, CYP4B1 LMNA 3497/4885PKM 1969/4885HTT 3238/4885
US-10759767-B2 Compositions comprising a triazole compound CYP1B1, CYP3A5, CYP4B1 LMNA 3497/4885PKM 1969/4885HTT 3238/4885

“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.