SCHEMBL15325823

SCHEMBL15325823

COc1ccc(NC(C)c2ccccc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
TDP1 Q9NUW8 4/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SOS1 Q07889 1/20 0.45
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
VDR P11473 1/20 0.42
LMNA P02545 2/20 0.42
KCNH3 Q9ULD8 1/20 0.42

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
SCHEMBL16308854 0.82 TDP1 (0.52) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL31285677 0.80 ALDH1A1 (0.58) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL15004002 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL15137443 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL3172125 0.77 ALDH1A1 (1.00) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL4725059 0.77 NPC1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5084056 0.76 MAPT (0.48) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL24105695 0.74 ESR1 (0.48) ALDH1A1SOS1CYP2C19
SCHEMBL15003942 0.74 ALDH1A1 (0.82) ALDH1A1TDP1GAAKDM4EL3MBTL1
SCHEMBL6687727 0.74 ALDH1A1 (0.82) ALDH1A1TDP1GAAKDM4EL3MBTL1

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
US-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US 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 ALDH1A1 115/4885TDP1 4332/4885GAA 3286/4885

“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.