SCHEMBL4568240

SCHEMBL4568240

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 1/20 0.38
PTPN5 P54829 1/20 0.38
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
CYP1A2 P05177 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4568245 0.87 HDAC1 (0.41) SMN1; SMN2MEN1KMT2APTPN5PDK1
SCHEMBL4568241 0.83 PTPN5 (0.38) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL4568252 0.83 PDK1 (0.38) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL4568248 0.81 PDK1 (0.40) SMN1; SMN2LMNAMEN1KMT2APDK1
SCHEMBL4568242 0.81 KDR (0.43) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL31648042 0.79 CA2 (0.46) SMN1; SMN2HTTMAPTPTPN5PDK1
SCHEMBL4568246 0.79 PDK1 (0.38) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL4568238 0.79 CYP1A2 (0.49) LMNAMEN1KMT2AMAPTNPC1
SCHEMBL23885177 0.78 CYP1A2 (0.48) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL30254571 0.78 CYP1A2 (0.48) SMN1; SMN2LMNAMEN1KMT2AMAPT

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 SMN1; SMN2 4661/4885HTT 2322/4885LMNA 4472/4885

“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.