SCHEMBL1605889

SCHEMBL1605889

N#Cc1cccc(F)c1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
BCAT1 P54687 1/20 0.42
CUL4A Q13619 1/20 0.42
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA1 P14867 3/20 0.41
ESR2 Q92731 1/20 0.40
CHUK O15111 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA2 P47869 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL2651366 0.86 ESR2 (0.46) PDK2CYP11B1CYP11B2BCAT1CUL4A
SCHEMBL9069188 0.85 ESR2 (0.43) PDK2CYP11B1CYP11B2BCAT1GABRG2
SCHEMBL24084229 0.83 PDK2 (0.43) PDK2CYP11B1CYP11B2BCAT1CUL4A
SCHEMBL2650416 0.81 ESR2 (0.48) PDK2CYP11B1CYP11B2BCAT1CUL4A
SCHEMBL24084232 0.80 BCAT1 (0.41) PDK2CYP11B1CYP11B2BCAT1GABRG2
SCHEMBL2651882 0.80 BCAT1 (0.41) PDK2CYP11B1CYP11B2BCAT1CUL4A
SCHEMBL20792044 0.80 GABRG2 (0.47) PDK2CYP11B1CYP11B2BCAT1GABRG2
SCHEMBL2660110 0.79 CYP11B1 (0.43) CYP11B1CYP11B2BCAT1CUL4AGABRG2
SCHEMBL9069185 0.79 ESR2 (0.47) PDK2CYP11B1CYP11B2BCAT1CUL4A
SCHEMBL24085014 0.79 ESR2 (0.52) PDK2CYP11B1CYP11B2BCAT1CUL4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011047315-A1 SUBSITITUTED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2011047315-A1 SUBSITITUTED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
WO-2011011712-A1 SUBSTITUTED IMIDAZOTRIAZINES CONCERT PHARMACEUTICALS, INC. (US) 2011-01-27 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 (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-20110082147-A1 SUBSTITUTED IMIDAZOTRIAZINES GABRA5, GABRA3, GABRA2 PDK2 2297/4885CYP11B1 916/4885CYP11B2 516/4885
US-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 PDK2 976/4885CYP11B1 44/4885CYP11B2 35/4885

“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.