SCHEMBL4568029

SCHEMBL4568029

O=C(Nc1cc(Cl)ccc1I)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.50
PDK2 Q15119 2/20 0.50
PDK3 Q15120 2/20 0.50
PDK4 Q16654 2/20 0.50
GRIK1 P39086 1/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
KCNMA1 Q12791 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL1197587 0.87 PDK1 (0.50) PDK1PDK2PDK3PDK4GRIK1
SCHEMBL1138827 0.81 KCNMA1 (0.58) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4568023 0.81 ALOX15 (0.40) CYP1A2CYP2C19MAPTPOLBHTT
SCHEMBL25236842 0.80 PDK1 (0.49) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL23885600 0.80 KCNK2 (0.41) GRIK1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL28091743 0.79 PDK1 (0.69) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL28108790 0.79 GRIK1 (0.53) GRIK1MEN1KMT2ALMNAKCNMA1
SCHEMBL1173744 0.79 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL1139376 0.78 PDK1 (0.51) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL15072457 0.78 KMT2A (0.58) PDK1PDK2PDK3PDK4RAB9A

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-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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.