SCHEMBL976273

SCHEMBL976273

O=C(NO)c1sc(-c2ccc3c(c2)OCO3)nc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.60
DBF4 Q9UBU7 2/20 0.60
CFTR P13569 7/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DHODH Q02127 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 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
SCHEMBL976455 0.84 CDC7 (0.57) CDC7DBF4KDM4EALDH1A1MAPT
SCHEMBL975727 0.81 CDC7 (0.86) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL11452915 0.80 MAPT (0.59) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11455475 0.75 NPC1 (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL978378 0.75 CDC7 (1.00) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL977661 0.75 CDC7 (0.70) CDC7DBF4ALDH1A1HPGDMAPT
SCHEMBL976446 0.74 CDC7 (0.62) CDC7DBF4ALDH1A1HPGDNPC1
SCHEMBL976858 0.73 CDC7 (0.76) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL19029179 0.73 KDM4E (0.59) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL175502 0.71 CFTR (0.61) CFTRHPGDMAPTRAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885CFTR 2101/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885CFTR 2101/4885

“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.