SCHEMBL3107895

SCHEMBL3107895

FC(F)(F)c1ncn(-c2ccc(C3CC3)cc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
KCNH2 Q12809 1/20 0.32
CYP17A1 P05093 1/20 0.32
HTR2C P28335 4/20 0.31
XPO1 O14980 1/20 0.31
ENPP2 Q13822 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CNR2 P34972 2/20 0.31
HCRTR1 O43613 1/20 0.31
KDM1A O60341 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2923083 0.85 KLKB1 (0.34) HTR2CXPO1RXRAGRIN1GRIN2B
SCHEMBL2921514 0.85 HTR2C (0.32) GABRG2GABRB3GABRA5CYP17A1HTR2C
SCHEMBL2940359 0.84 XPO1 (0.35) GABRG2GABRB3GABRA5HTR2CXPO1
SCHEMBL27952843 0.82 CYP17A1 (0.31) CYP17A1XPO1HCRTR1
SCHEMBL2916881 0.81 TLR9 (0.35) XPO1
SCHEMBL2916380 0.81 XPO1 (0.34) GABRG2GABRB3GABRA5XPO1ENPP2
SCHEMBL27941586 0.81 XPO1 (0.34) GABRG2GABRB3GABRA5XPO1
SCHEMBL2913112 0.79 CYP17A1 (0.34) CYP17A1
SCHEMBL27952869 0.79 XPO1 (0.32) XPO1ENPP2
SCHEMBL2913915 0.78 POLB (0.38) GABRG2GABRB3GABRA5

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-8648207-B2 Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-8440838-B2 Aryl (1H-1,2,4-triazol-1-yl) compound and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-14 US disclosed
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-01-24 US disclosed
US-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-07 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 (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-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF CYP1A1, CYP2S1, NAT1 GABRG2 1727/4885GABRB3 2893/4885GABRA5 2196/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 GABRG2 975/4885GABRB3 526/4885GABRA5 653/4885

“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.