SCHEMBL4776739

SCHEMBL4776739

Cc1cc(C(=O)c2cc(Br)cc(Br)c2)cc(N(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 10/20 0.35
ADRA2A P08913 3/20 0.35
HRH1 P35367 3/20 0.35
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35
TSHR P16473 2/20 0.35
SLC2A1 P11166 1/20 0.35
CNR1 P21554 1/20 0.34
KCNH2 Q12809 1/20 0.34
AURKB Q96GD4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DNM2 P50570 1/20 0.33
GRM5 P41594 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL1179043 0.78 MEN1 (0.46) MEN1KMT2ARAB9ATSHRSLC2A1
SCHEMBL3931846 0.77 ALDH1A1 (0.40) KMT2AHTTRAB9ATSHRKCNH2
SCHEMBL4780604 0.76 PROKR1 (0.41)
SCHEMBL1168105 0.72 HTT (0.43) MEN1KMT2AHTTRAB9ATSHR
SCHEMBL1179561 0.70 MEN1 (0.42) MEN1KMT2ARAB9AMCHR1ADRA2A
SCHEMBL19723419 0.69 HTT (0.46) MEN1KMT2AHTTRAB9ANPSR1
SCHEMBL23684074 0.66 ALOX15 (0.41) MEN1KMT2ATSHR
SCHEMBL27790943 0.66 HDAC6 (0.40)
SCHEMBL1425034 0.66 HCAR3 (0.39) MEN1KMT2AHTTRAB9ATSHR
SCHEMBL9894849 0.64 MEN1 (0.61) MEN1KMT2AMCHR1TSHRSLC2A1

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MEN1 1354/4885KMT2A 3984/4885HTT 2987/4885

“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.