SCHEMBL3083752

SCHEMBL3083752

COc1ccc(Cc2noc(N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
LTA4H P09960 2/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL13776649 0.82 MEN1 (0.54) PKMLTA4HLMNAHPGDHTR6
SCHEMBL3083749 0.78 L3MBTL1 (0.53) L3MBTL1MAPTMAPK1ALDH1A1CYP2D6
SCHEMBL433715 0.78 MAPK1 (0.53) L3MBTL1MAPK1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL23175129 0.76 LMNA (0.70) L3MBTL1MAPTMAPK1ALDH1A1CYP2D6
SCHEMBL7827950 0.74 MAPT (0.55) L3MBTL1MAPTMAPK1ALDH1A1ATM
Hydrochloric Acid SCHEMBL6321796 0.73 MAPT (0.48) L3MBTL1MAPTMAPK1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL6322555 0.73 MAPT (0.48) L3MBTL1MAPTMAPK1ALDH1A1CYP2D6
SCHEMBL102809 0.73 MAPT (0.57) L3MBTL1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL30617050 0.73 LTA4H (0.59) L3MBTL1MAPTMAPK1ALDH1A1CYP2D6
SCHEMBL30281263 0.73 ALDH1A1 (0.57) L3MBTL1MAPTMAPK1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B L3MBTL1 4428/4885MAPT 1326/4885MAPK1 803/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C L3MBTL1 4636/4885MAPT 1289/4885MAPK1 1070/4885

“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.