SCHEMBL4776611

SCHEMBL4776611

COc1cc(C(=O)c2cc(Br)cc(Br)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
ALDH1A1 P00352 2/20 0.42
PROKR1 Q8TCW9 2/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CCR9 P51686 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HTT P42858 1/20 0.39
CTSA P10619 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL27841468 0.88 KCNK3 (0.52) KCNK3KCNK9ALDH1A1PROKR1LMNA
SCHEMBL26987981 0.88 RAB9A (0.56) KCNK3KCNK9ALDH1A1PROKR1RAB9A
SCHEMBL3939593 0.86 KCNK3 (0.46) KCNK3KCNK9ALDH1A1PROKR1RAB9A
SCHEMBL3925104 0.84 KCNK3 (0.41) KCNK3KCNK9ALDH1A1LMNAKMT2A
SCHEMBL6378445 0.81 KCNK3 (0.53) KCNK3KCNK9ALDH1A1RAB9ALMNA
SCHEMBL229446 0.76 KDM4C (0.57) KCNK3KCNK9ALDH1A1PROKR1RAB9A
SCHEMBL29556902 0.76 KDM4C (0.57) KCNK3KCNK9ALDH1A1PROKR1RAB9A
SCHEMBL29640109 0.76 KCNK3 (0.55) KCNK3KCNK9ALDH1A1PROKR1LMNA
SCHEMBL12640026 0.76 KCNK3 (0.55) KCNK3KCNK9ALDH1A1PROKR1LMNA
SCHEMBL3927686 0.76 LMNA (0.42) ALDH1A1PROKR1RAB9ALMNAMAPT

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 KCNK3 1938/4885KCNK9 3675/4885ALDH1A1 489/4885

“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.