SCHEMBL5095434

SCHEMBL5095434

Cc1cccc(CNC(=O)c2ccc3cnccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.58
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
SCN9A Q15858 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOD2 Q9HC29 1/20 0.50
ROCK2 O75116 2/20 0.49
NAMPT P43490 1/20 0.48
CTSA P10619 1/20 0.48
MAOB P27338 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 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
SCHEMBL5101898 0.86 NPC1 (0.61) HDAC3HDAC1HDAC2SCN9AMEN1
SCHEMBL5096066 0.86 HDAC3 (0.53) MMP13HDAC3HDAC1HDAC2SCN9A
SCHEMBL5096069 0.85 ROCK2 (0.59) MMP13HDAC3HDAC1HDAC2MEN1
SCHEMBL5095647 0.85 HDAC3 (0.67) MMP13HDAC3HDAC1HDAC2SCN9A
SCHEMBL5090202 0.85 HDAC3 (0.63) MMP13HDAC3HDAC1HDAC2SCN9A
SCHEMBL5095582 0.84 POLB (0.67) MMP13HDAC3HDAC1HDAC2SCN9A
SCHEMBL5090106 0.83 TRPV1 (0.59) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL5101919 0.82 HDAC3 (0.65) MMP13HDAC3HDAC1HDAC2SCN9A
SCHEMBL5101937 0.79 MEN1 (0.76) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL5095756 0.78 CTSA (0.58) HDAC3HDAC1HDAC2MEN1KMT2A

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 MMP13 1015/4885HDAC3 2073/4885HDAC1 1662/4885

“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.