SCHEMBL4568244

SCHEMBL4568244

O=C(Nc1cc(C(F)(F)F)ccc1Br)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
PTPN5 P54829 1/20 0.49
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
XBP1 P17861 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SLC40A1 Q9NP59 1/20 0.44
AKR1B1 P15121 2/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP1A2 P05177 3/20 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
SCHEMBL1703717 0.85 TAS2R14 (0.58) TAS2R14MEN1KMT2ALMNANPSR1
SCHEMBL7254538 0.83 CYP1A2 (0.58) TAS2R14MEN1KMT2APTPN5NPSR1
SCHEMBL15998606 0.81 PDK1 (0.43) MEN1KMT2ALMNAPTPN5NPSR1
SCHEMBL22164080 0.80 PDK1 (0.49) MEN1KMT2ALMNANPSR1MAPT
SCHEMBL9197373 0.80 HDAC1 (0.51) TAS2R14MEN1KMT2ALMNAMAPT
SCHEMBL31648042 0.78 CA2 (0.46) PTPN5MAPTSMN1; SMN2GAAHTT
SCHEMBL21885668 0.78 TAS2R14 (0.48) TAS2R14MEN1KMT2ALMNANPSR1
SCHEMBL1007870 0.77 RXFP1 (0.53) TAS2R14MEN1KMT2ALMNANPSR1
SCHEMBL3485581 0.77 SRPK1 (0.60) TAS2R14KMT2ANPSR1MAPTXBP1
SCHEMBL18340946 0.77 L3MBTL1 (0.51) TAS2R14MEN1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TAS2R14 1239/4885MEN1 2993/4885KMT2A 2056/4885

“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.