SCHEMBL3010834

SCHEMBL3010834

O=C(NO)c1nc(-c2ccccc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.60
HDAC1 Q13547 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
USP30 Q70CQ3 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 2/20 0.51
PARP1 P09874 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HIF1A Q16665 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL28475108 0.87 NR1H4 (0.58) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL27789995 0.84 ALDH1A1 (0.55) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL167820 0.84 RAB9A (0.58) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL11486934 0.82 NR1H4 (0.53) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL7441613 0.81 MAPT (0.50) NR1H4HDAC1HDAC8HDAC6MAPT
SCHEMBL168593 0.81 ALDH1A1 (0.56) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL161667 0.81 ALDH1A1 (0.53) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL13963798 0.81 MAPT (0.55) NR1H4MAPTALDH1A1LMNAKDM4E
SCHEMBL27966314 0.81 NR1H4 (0.52) NR1H4HDAC1HDAC8HDAC6MAPT
SCHEMBL2176868 0.80 RAB9A (0.53) NR1H4MAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653278-B2 Isoform selective HDAC inhibitors GEORGETOWN UNIVERSITY (US) 2014-02-18 US disclosed
US-20100196502-A1 Isoform Selective HDAC Inhibitors GEORGETOWN UNIVERSITY (US) 2010-08-05 US disclosed
EP-2049505-A2 ISOFORM-SELECTIVE HDAC INHIBITORS Georgetown University (US) 2009-04-22 EP disclosed
WO-2008019025-A2 ISOFORM-SELECTIVE HDAC INHIBITORS GEORGETOWN UNIVERSITY (US) 2008-02-14 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-20100196502-A1 Isoform Selective HDAC Inhibitors HDAC5, HDAC6, HDAC3 NR1H4 1321/4885HDAC1 4/4885HDAC8 9/4885

“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.