SCHEMBL6203838

SCHEMBL6203838

COc1ccc(CC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
HTT P42858 2/20 0.63
NPC1 O15118 1/20 0.63
GSK3B P49841 1/20 0.59
ALDH1A1 P00352 2/20 0.57
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL7854504 1.00 KMT2A (0.64) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL457954 0.91 NPC1 (0.73) KMT2ALMNAMAPTMEN1RAB9A
SCHEMBL14586714 0.86 SRD5A2 (0.69) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL8584136 0.86 GSK3B (0.61) KMT2ALMNAMAPTMEN1RAB9A
SCHEMBL29985867 0.86 GSK3B (0.61) KMT2ALMNAMAPTMEN1RAB9A
SCHEMBL28668863 0.85 RAB9A (0.71) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL28851137 0.85 AGTR1 (0.60) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL3099733 0.85 NPC1 (0.65) KMT2ALMNAMAPTRAB9AHTT
SCHEMBL1420182 0.85 NPC1 (0.65) KMT2ALMNAMAPTMEN1RAB9A
SCHEMBL12637609 0.85 NPC1 (0.65) KMT2ALMNAMAPTMEN1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A KMT2A 1162/4885LMNA 3814/4885MAPT 114/4885

“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.