SCHEMBL5093565

SCHEMBL5093565

O=C(NCc1ccc(F)cc1)c1ccc2cnccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.58
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
ROCK2 O75116 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPK14 Q16539 1/20 0.48
SCN9A Q15858 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL5101919 0.89 HDAC3 (0.65) HDAC3HDAC1HDAC2SMN1; SMN2SCN9A
SCHEMBL5101918 0.87 CYP1A2 (0.64) HDAC3HDAC1HDAC2NAMPTSMN1; SMN2
SCHEMBL5101866 0.87 HDAC3 (0.64) HDAC3HDAC1HDAC2SMN1; SMN2ROCK2
SCHEMBL5095647 0.87 HDAC3 (0.67) HDAC3HDAC1HDAC2L3MBTL1NAMPT
SCHEMBL5090202 0.86 HDAC3 (0.63) HDAC3HDAC1HDAC2SMN1; SMN2ROCK2
SCHEMBL5101888 0.86 HDAC1 (0.63) HDAC3HDAC1HDAC2L3MBTL1NAMPT
SCHEMBL5101996 0.84 RAB9A (0.66) HDAC3HDAC1HDAC2L3MBTL1SMN1; SMN2
SCHEMBL5095582 0.83 POLB (0.67) HDAC3HDAC1HDAC2SMN1; SMN2MAPT
SCHEMBL15530605 0.81 NAMPT (0.68) HDAC3HDAC1HDAC2NAMPTCYP2C9
SCHEMBL5090143 0.80 NPC1 (0.55) HDAC3HDAC1HDAC2NAMPTTP53

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 HDAC3 2073/4885HDAC1 1662/4885HDAC2 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.