SCHEMBL6319050

SCHEMBL6319050

Cn1nc(-c2ccc(Cl)cc2F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.43
HSD11B1 P28845 3/20 0.40
GRIN2B Q13224 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
PDE2A O00408 2/20 0.36
GRM2 Q14416 6/20 0.35
CYP2C9 P11712 1/20 0.35
BCHE P06276 1/20 0.34
IDO1 P14902 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL7707702 0.84 KMO (0.42) KMOHSD11B1GRIN2BEGLN2PDE2A
SCHEMBL4032763 0.84 HSD11B1 (0.49) HSD11B1
SCHEMBL12297649 0.83 HSD11B1 (0.40) HSD11B1GRM2IDO1PDE4APDE4B
SCHEMBL9081963 0.81 KMO (0.40) KMOHSD11B1GRIN2BEGLN2PDE2A
SCHEMBL8474290 0.79 ERN1 (0.41) PDE2AGRM2CYP2C9
SCHEMBL9080977 0.79 GABRA1 (0.34) EGLN2
SCHEMBL7508249 0.79 KMO (0.39) KMOHSD11B1GRIN2BEGLN2PDE2A
SCHEMBL4507194 0.79 STIM1 (0.44) IDO1
SCHEMBL17290382 0.78 HSD11B1 (0.46) HSD11B1PDE2AGRM2
SCHEMBL7475083 0.76 CA12 (0.48) KMOGRIN2B

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-6897322-B2 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-1H-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-24 US disclosed
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 US disclosed
US-H1942-H1 MADE BY REACTING 1-METHYL-5-DIFLUOROMETHOXY-4-CHLORO-3-(2-FLUORO-4-CHLORO-5 -AMINOPHENYL)PYRAZOLE WITH T-BUTYL NITRITE, COPPER CHLORIDE, AND ETHYL ACRYLATE IN ACETONITRILE, FOR EXAMPLE FMC CORPORATION 2001-02-06 US disclosed
WO-1996015115-A1 HERBICIDAL PYRAZOLE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO 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 (1 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-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles CYP2E1, CYP2F1, CYP1A1 KMO 127/4885HSD11B1 77/4885GRIN2B 3143/4885

“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.