SCHEMBL4568245

SCHEMBL4568245

Cc1cc(Br)c(NC(=O)C(F)(F)F)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
CA2 P00918 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4568246 0.88 PDK1 (0.38) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL4568252 0.88 PDK1 (0.38) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL4568248 0.87 PDK1 (0.40) PDK1PDK2PDK3PDK4CA2
SCHEMBL4568240 0.87 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4CA2
SCHEMBL31648042 0.85 CA2 (0.46) PDK1PDK2PDK3PDK4CA2
SCHEMBL6118287 0.84 CYP1A2 (0.49) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL4568238 0.84 CYP1A2 (0.49) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL6336176 0.84 L3MBTL1 (0.44) HDAC1PDK1PDK2PDK3PDK4
SCHEMBL4568253 0.82 PDK1 (0.34) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL16841420 0.81 SMN1; SMN2 (0.44) HDAC1HDAC7HDAC8HDAC6PDK1

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 HDAC1 566/4885HDAC7 1714/4885HDAC8 1421/4885

“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.