SCHEMBL4568023

SCHEMBL4568023

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 2/20 0.38
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
KLK7 P49862 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABL1 P00519 1/20 0.37
PTPN5 P54829 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
HDAC2 Q92769 1/20 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
SCHEMBL23885419 0.86 CA1 (0.44) ALOX15L3MBTL1HDAC1MAPTJAK2
SCHEMBL4568029 0.81 PDK1 (0.50) MAPTHTTCYP1A2CYP2C19POLB
SCHEMBL25236842 0.81 PDK1 (0.49) L3MBTL1HDAC1MAPTTP53CYP1A2
SCHEMBL23885600 0.81 KCNK2 (0.41) L3MBTL1MAPTJAK2TP53HTT
SCHEMBL7299719 0.81 MEN1 (0.49) L3MBTL1HDAC1MAPTJAK2TP53
SCHEMBL1173744 0.80 PDK1 (0.46) L3MBTL1HDAC1MAPT
SCHEMBL20051715 0.79 HDAC1 (0.52) HDAC1HDAC2
SCHEMBL9359721 0.79 HTT (0.57) MAPTHTTCYP2C19POLBPKM
SCHEMBL31548138 0.79 HTT (0.57) MAPTHTTCYP2C19POLBPKM
SCHEMBL31312693 0.79 PTPN5 (0.39) L3MBTL1MAPTJAK2TP53HTT

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 4 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
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 ALOX15 232/4885L3MBTL1 768/4885HDAC1 566/4885

“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.