SCHEMBL1759401

SCHEMBL1759401

Cc1cccc(C(=O)N(O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
PARP1 P09874 1/20 0.59
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
KCNH2 Q12809 1/20 0.50
POLB P06746 2/20 0.49
ABCB1 P08183 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ENPP3 O14638 1/20 0.45
ALPL P05186 1/20 0.45
XIAP P98170 1/20 0.45

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
SCHEMBL6675237 0.86 HPGD (0.62) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL29637011 0.83 HPGD (0.65) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL23782 0.83 HPGD (0.65) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL25908515 0.82 HPGD (0.62) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL11675937 0.82 HPGD (0.62) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL9100257 0.80 HPGD (0.61) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL6832775 0.80 HPGD (0.61) HPGDTDP1PARP1HDAC8HDAC6
Diethyltoluamide SCHEMBL29976 0.79 HPGD (1.00) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL11913144 0.79 HPGD (0.74) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL15339830 0.79 HPGD (0.59) HPGDTDP1PARP1HDAC8HDAC6

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
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
WO-2011057956-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 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-20110112158-A1 BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL HPGD 804/4885TDP1 2241/4885PARP1 2512/4885

“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.