SCHEMBL4568253

SCHEMBL4568253

Cc1cc(Br)c(NC(=O)C(F)(F)F)cc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
ADRA2A P08913 1/20 0.34
CYP1A2 P05177 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
OPRL1 P41146 1/20 0.33
NR3C1 P04150 1/20 0.33
NQO2 P16083 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 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
SCHEMBL4568251 0.84 IDO1 (0.34) PDK1PDK2PDK3PDK4ADRA2A
SCHEMBL4568245 0.82 HDAC1 (0.41) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL4568252 0.78 PDK1 (0.38) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL4568248 0.77 PDK1 (0.40) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL4568240 0.77 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL23952220 0.75 MEN1 (0.38) PDK1PDK2PDK3PDK4ADRA2A
SCHEMBL31648042 0.75 CA2 (0.46) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL4568246 0.75 PDK1 (0.38) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL4568238 0.74 CYP1A2 (0.49) PDK1PDK2PDK3PDK4CYP1A2
SCHEMBL10257655 0.72 HTT (0.44) CYP1A2KDM4ENQO2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R PDK1 4256/4885PDK2 2782/4885PDK3 2580/4885

“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.