SCHEMBL18938231

SCHEMBL18938231

CSOc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ MAOB P27338 4/20 0.43
▸ MAOA P21397 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ PARP15 Q460N3 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL15212297 0.76 MAOB (0.50) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL103904 0.73 MAOB (0.61) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL30757515 0.73 MAOB (0.61) ALDH1A1CYP2A6CA2CA9CA1
1,4-Dimethoxybenzene SCHEMBL28617696 0.73 MAOB (0.61) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL2707459 0.72 PARP15 (0.49) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL23566017 0.72 CA2 (0.52) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL8852392 0.72 PARP15 (0.63) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL7041250 0.72 PARP15 (0.63) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL30250275 0.71 MAOA (0.59) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL2503454 0.71 CA2 (0.69) ALDH1A1CYP2A6CA2CA9CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301283-B2 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-substituted-pyridin-2-yl)-3-(1h-tetrazol-1-yl)propan-2-ols and processes for their preparation DOW AGROSCIENCES, LLC (US) 2019-05-28 — — US disclosed
US-20180155324-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION CORTEVA AGRISCIENCE LLC 2018-06-07 — — US disclosed
US-9988365-B2 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-substituted-pyridin-2-yl)-3-(1H-tetrazol-1-yl)propan-2-ols and processes for their preparation VPS-3, INC. (US) 2018-06-05 — — US disclosed
US-20170158667-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION VIAMET PHARMACEUTICALS, INC. 2017-06-08 — — 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 (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-20170158667-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION PDXK, PFKFB1, PDGFRA ALDH1A1 476/4885CYP2A6 2047/4885CA2 4774/4885
US-20180155324-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION PDXK, PFKFB1, PDGFRA ALDH1A1 476/4885CYP2A6 2047/4885CA2 4774/4885
US-10301283-B2 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-substituted-pyridin-2-yl)-3-(1h-tetrazol-1-yl)propan-2-ols and processes for their preparation PDXK, PFKFB1, PDGFRA ALDH1A1 476/4885CYP2A6 2047/4885CA2 4774/4885

“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.

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