SCHEMBL974577

SCHEMBL974577

O=C(NO)c1cc(-c2cccc(N3CCOCC3)c2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 3/20 0.60
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CNR1 P21554 1/20 0.52
▸ MARS1 P56192 5/20 0.50
▸ HPGD P15428 1/20 0.48
▸ RPA1 P27694 1/20 0.47
▸ F10 P00742 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL976450 0.84 CNR1 (0.54) SMPD1MEN1KMT2ACNR1RPA1
SCHEMBL974906 0.81 MARS1 (0.50) SMPD1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15474346 0.79 HDAC1 (0.43) SMPD1MAPTLMNACNR1PTGS2
SCHEMBL1075033 0.79 MMP2 (0.47) LMNAHTTPTGS2HDAC3HDAC1
SCHEMBL974118 0.77 SLC16A3 (0.52) SMPD1MEN1KMT2AHDAC3HDAC1
SCHEMBL3091499 0.71 CNR1 (0.60) SMPD1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15472788 0.71 MALT1 (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL15576812 0.70 NPY5R (0.46) MEN1KMT2APTGS2
SCHEMBL974931 0.70 MARS1 (0.49) SMPD1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1514645 0.69 MARS1 (0.95) SMPD1MAPTSMN1; SMN2LMNAHTT

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 10 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
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 SMPD1 1060/4885MEN1 3189/4885KMT2A 60/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SMPD1 1060/4885MEN1 3189/4885KMT2A 60/4885

“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.

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