SCHEMBL15323965

SCHEMBL15323965

COc1ccc(N=C(C)c2ccc(Br)cc2)cc1.[Ir]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 2/20 0.54
MAPK1 P28482 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NOS3 P29474 2/20 0.53
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
NOS1 P29475 2/20 0.47
NPC1 O15118 4/20 0.47
ATM Q13315 1/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL15323964 1.00 RAB9A (0.54) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL18025541 0.98 RAB9A (0.56) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL15323278 0.91 NOS3 (0.62) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL15323282 0.91 NOS3 (0.62) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL24105687 0.89 NOS3 (0.64) RAB9AMAPTMEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL23795043 0.86 NOS3 (0.60) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL23795045 0.83 NOS3 (0.56) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL15322903 0.83 NOS3 (0.56) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL15322907 0.83 NOS3 (0.56) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL16373407 0.81 HPGD (0.56) RAB9AMAPTMEN1MAPK1KMT2A

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-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US disclosed
EP-2836496-A1 CATALYST COMPOUNDS The University of Liverpool (GB) 2015-02-18 EP disclosed
WO-2013153408-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 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-20150073165-A1 CATALYST COMPOUNDS NQO1, IDH2, IDH3B RAB9A 1020/4885MAPT 3930/4885MEN1 262/4885

“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.