SCHEMBL4568235

SCHEMBL4568235

Cc1cc(Br)c(N)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
KDM1B Q8NB78 1/20 0.41
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NR4A1 P22736 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL533099 0.78 CYP3A4 (0.46) CYP3A4TSHRMAPK1ALDH1A1MEN1
SCHEMBL4568233 0.76 KDM1A (0.43) KDM1AKDM1BALDH1A1MEN1APAF1
SCHEMBL31586681 0.76 CYP3A4 (0.39) KDM1AKDM1BCYP3A4TSHRMAPK1
SCHEMBL23793957 0.76 OPRL1 (0.38) KDM1AKDM1BCYP3A4TSHRMAPK1
SCHEMBL533769 0.76 CYP3A4 (0.44) CYP3A4TSHRMAPK1ALDH1A1MEN1
SCHEMBL15428005 0.75 MEN1 (0.33) ALDH1A1MEN1APAF1POLBMAPT
SCHEMBL18840501 0.74 POLB (0.32) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL24776875 0.74 KDM1A (0.37) KDM1AKDM1BTSHR
SCHEMBL13569777 0.73 CYP3A4 (0.41) CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL13569861 0.73 CYP3A4 (0.41) CYP3A4TSHRMAPK1ALDH1A1

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 KDM1A 1390/4885KDM1B 1386/4885CYP3A4 2161/4885

“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.