SCHEMBL5093704

SCHEMBL5093704

O=C(NCCc1ccc(Br)cc1)c1ccc2cnccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
ALDH1A1 P00352 1/20 0.52
RCE1 Q9Y256 1/20 0.52
PKM P14618 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HIF1A Q16665 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5093508 0.88 MAPT (0.58) KMT2AMEN1HDAC2HDAC3HDAC1
SCHEMBL5090088 0.87 RAB9A (0.62) KMT2AMEN1HDAC2HDAC3HDAC1
SCHEMBL5101866 0.87 HDAC3 (0.64) KMT2AMEN1HDAC2HDAC3HDAC1
SCHEMBL5214482 0.78 SMN1; SMN2 (0.50) KMT2AMEN1HDAC2ALDH1A1NPC1
SCHEMBL15747587 0.76 ALDH1A1 (0.71) KMT2AMEN1HDAC2HDAC3HDAC1
SCHEMBL5101919 0.76 HDAC3 (0.65) HDAC2HDAC3HDAC1ALDH1A1SMN1; SMN2
SCHEMBL5096066 0.76 HDAC3 (0.53) KMT2AMEN1HDAC2HDAC3HDAC1
SCHEMBL4729283 0.75 ALDH1A1 (0.63) HDAC2HDAC3HDAC1ALDH1A1NPC1
SCHEMBL5101918 0.74 CYP1A2 (0.64) KMT2AMEN1HDAC2HDAC3HDAC1
SCHEMBL5093565 0.74 HDAC3 (0.64) HDAC2HDAC3HDAC1HDAC8HDAC6

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 KMT2A 3311/4885MEN1 1318/4885HDAC2 2109/4885

“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.