SCHEMBL4808960

SCHEMBL4808960

Brc1ncccc1-c1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CDC25B P30305 1/20 0.34
HTT P42858 2/20 0.33
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
PTPN13 Q12923 1/20 0.32
TDP2 O95551 2/20 0.31
NSD2 O96028 2/20 0.31
PAX8 Q06710 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
RIN1 Q13671 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL14976261 0.78 NPC1 (0.41) CDC25BTDP1MEN1KMT2AGAA
SCHEMBL5100088 0.78 MKNK1 (0.39) PTPRCCTSLCTSSPTPN13TDP2
SCHEMBL28600943 0.75 PTGS2 (0.45) CDC25BHTTPTPRCCTSLCTSS
SCHEMBL713926 0.75 KDM4E (0.50) HTTTDP1MEN1BLMKMT2A
SCHEMBL2761711 0.75 MEN1 (0.32) CDC25BHTTPTPRCTDP2PLCG1
SCHEMBL9957877 0.74 KDM4E (0.46) HTTTDP1BLMCYP1A2KDM4E
SCHEMBL9656802 0.74 CDC25B (0.34) CDC25BHTTPTPRCCTSLCTSS
SCHEMBL2154273 0.74 ALDH1A1 (0.44) TDP1GAAKDM4ELMNATP53
SCHEMBL15511226 0.74 MAPT (0.44) CYP1A2KDM4ETP53CYP3A4MAPT
SCHEMBL18421674 0.74 CYP11B1 (0.34) PTPRCCTSLCTSSPTPN13PLCG1

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-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 TRIM24 3139/4885TRIM33 2916/4885CDC25B 4515/4885

“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.