SCHEMBL1944614

SCHEMBL1944614

O=C(CNC(=O)c1ccc2cc3cccccc-3c2c1)NO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.51
PTPRC P08575 2/20 0.44
CTSL P07711 1/20 0.44
PTPN13 Q12923 1/20 0.44
NPC1 O15118 1/20 0.44
HDAC6 Q9UBN7 8/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC3 O15379 6/20 0.43
HDAC4 P56524 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC7 Q8WUI4 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 6/20 0.43
HDAC11 Q96DB2 6/20 0.43
HDAC9 Q9UKV0 6/20 0.43
HDAC5 Q9UQL6 6/20 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
SCHEMBL1946591 0.86 ALDH1A1 (0.50) HDAC6HDAC8HDAC1HDAC2
SCHEMBL1948127 0.86 SPHK2 (0.45) PTPRCCTSLPTPN13
SCHEMBL1945585 0.82 RAB9A (0.54)
SCHEMBL1945575 0.80 POLB (0.52)
SCHEMBL7412271 0.74 MMP1 (0.73) MMP1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1944616 0.73 GRIN2D (0.43) PTPRCNPC1HDAC6HDAC8
SCHEMBL1948129 0.69 GRIN2D (0.44) PTPRCNPC1
SCHEMBL12837391 0.68 MMP1 (0.64) MMP1
SCHEMBL6386678 0.68 HDAC6 (0.67) MMP1NPC1HDAC6HDAC8HDAC3
SCHEMBL6384846 0.68 HDAC1 (0.67) MMP1NPC1HDAC6HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130414-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LIMITED (IN) 2011-06-02 US 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-20110130414-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TPMT, ABCG2, TALDO1 MMP1 4699/4885PTPRC 1830/4885CTSL 2587/4885

“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.