SCHEMBL22031352

SCHEMBL22031352

Cc1cc(Cl)c(-c2ccccc2C)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.48
AR P10275 2/20 0.42
HSD11B1 P28845 7/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
RAPGEF4 Q8WZA2 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
SCHEMBL21620288 0.73 CYP1A2 (0.46) PDK2HSD11B1CYP1A2CYP1A1PLA2G7
SCHEMBL20108429 0.70 TSHR (0.38) PDK2GABRPGABRDGABRA1GABRB1
SCHEMBL18272233 0.70 SMN1; SMN2 (0.40) ARRAPGEF4CYP1A2MEN1CYP3A4
SCHEMBL5541462 0.69 HSD11B1 (0.55) ARHSD11B1TRPA1CYP3A4CYP2D6
SCHEMBL10493689 0.69 RAPGEF4 (0.42) PDK2HSD11B1RAPGEF4CYP3A4
SCHEMBL12881255 0.69 RAPGEF4 (0.42) PDK2HSD11B1RAPGEF4CYP2C19
SCHEMBL25350488 0.69 HSD11B1 (0.43) ARHSD11B1GABRPGABRDGABRA1
SCHEMBL4265966 0.68 PDK2 (0.44) PDK2CYP1A2TRPA1TSHR
SCHEMBL17407435 0.68 PDK2 (0.47) PDK2HSD11B1CYP1A2CYP1A1MEN1
SCHEMBL14744241 0.68 PLA2G7 (0.55) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200163937-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-05-28 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 (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-20200163937-A1 PYRAZOLE-AMIDE COMPOUNDS AND PHARMACEUTICAL USE THEREOF NAT1, CYP2C19, CYP3A5 PDK2 92/4885AR 2663/4885HSD11B1 1037/4885

“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.