SCHEMBL15325818

SCHEMBL15325818

COc1ccc(NC(C)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
EGFR P00533 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APP P05067 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.48
GSK3B P49841 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL15003946 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL15003942 0.84 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6687727 0.84 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL15325817 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL5030292 0.81 CRHBP (0.62) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL8364606 0.81 CRHBP (0.62) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL7860138 0.81 CRHBP (0.58) ALDH1A1KMT2AMEN1LMNARAB9A
Hydrochloric Acid SCHEMBL28749182 0.81 KCNH3 (0.50) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL1195949 0.79 MAPT (0.68) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL25185020 0.79 CNR1 (0.57) ALDH1A1KMT2AMEN1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
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-2013153407-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO 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 (2 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 115/4885KMT2A 1536/4885MEN1 262/4885
US-20150080592-A1 CATALYST COMPOUNDS IDH3B, IDH2, NQO1 ALDH1A1 261/4885KMT2A 1132/4885MEN1 294/4885

“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.