SCHEMBL5093508

SCHEMBL5093508

O=C(NCCc1ccc(Cl)cc1)c1ccc2cnccc2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
SCN2A Q99250 1/20 0.58
SCN10A Q9Y5Y9 1/20 0.58
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
ALDH1A1 P00352 1/20 0.52
RCE1 Q9Y256 1/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
EGLN1 Q9GZT9 1/20 0.49
HIF1A Q16665 1/20 0.49
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5093704 0.88 KMT2A (0.53) MAPTSCN2ASCN10ANPC1RAB9A
SCHEMBL5090088 0.87 RAB9A (0.62) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL5101918 0.87 CYP1A2 (0.64) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL15747587 0.76 ALDH1A1 (0.71) MAPTSCN10ANPC1RAB9AMEN1
SCHEMBL6083513 0.76 NPC1 (0.81) MAPTSCN2ASCN10ANPC1RAB9A
SCHEMBL5101919 0.76 HDAC3 (0.65) HDAC3HDAC1HDAC2ALDH1A1CYP1A2
SCHEMBL5101898 0.76 NPC1 (0.61) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL1568051 0.76 RAB9A (0.72) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4729283 0.75 ALDH1A1 (0.63) MAPTNPC1RAB9AHDAC3HDAC1
SCHEMBL5101866 0.74 HDAC3 (0.64) RAB9AMEN1KMT2AHDAC3HDAC1

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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 EP disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 MAPT 87/4885SCN2A 573/4885SCN10A 1279/4885

“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.