SCHEMBL2877835

SCHEMBL2877835

CON(C)C(=O)c1ncc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MLYCD O95822 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
OPRK1 P41145 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
NCEH1 Q6PIU2 1/20 0.30
CYP3A4 P08684 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL19550744 0.83 APLNR (0.37) MEN1KMT2ATDP1MLYCDTRPM8
SCHEMBL644275 0.80 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL2308777 0.79 TRPM8 (0.38) MEN1KMT2ATDP1MLYCDTRPM8
SCHEMBL256758 0.77 ALDH1A1 (0.53) MEN1KMT2ATDP1MLYCDALDH1A1
SCHEMBL30041415 0.75 OPRK1 (0.37) MEN1KMT2ATDP1ALDH1A1OPRK1
SCHEMBL21591714 0.75 KMT2A (0.36) MEN1KMT2ATDP1MLYCDCLK1
SCHEMBL21591708 0.75 OPRK1 (0.37) MEN1KMT2ATDP1ALDH1A1OPRK1
SCHEMBL1721213 0.74 GBA1 (0.38) MEN1KMT2ATRPM8ALDH1A1KDM4E
SCHEMBL13388128 0.74 GRM5 (0.49) ALDH1A1KDM4E
SCHEMBL23706004 0.74 KMT2A (0.39) MEN1KMT2ATDP1MLYCDCLK1

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
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP 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 (2 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MEN1 582/4885KMT2A 443/4885TDP1 4017/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 MEN1 1187/4885KMT2A 76/4885TDP1 4430/4885

“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.