SCHEMBL974906

SCHEMBL974906

O=C(NO)c1cc(-c2cccc(N3CCc4ccccc43)c2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 7/20 0.50
▸ CNR1 P21554 2/20 0.49
▸ SMPD1 P17405 3/20 0.49
▸ RPA1 P27694 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CNR2 P34972 1/20 0.41
▸ MALT1 Q9UDY8 2/20 0.41
▸ FAAH O00519 1/20 0.41

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
SCHEMBL974931 0.89 MARS1 (0.49) MARS1CNR1SMPD1RPA1MEN1
SCHEMBL974577 0.81 SMPD1 (0.60) MARS1CNR1SMPD1RPA1MEN1
SCHEMBL1514645 0.70 MARS1 (0.95) MARS1SMPD1RPA1LMNAMAPT
SCHEMBL29687591 0.70 MARS1 (0.95) MARS1SMPD1RPA1LMNAMAPT
SCHEMBL117472 0.68 MARS1 (1.00) MARS1SMPD1RPA1MEN1KMT2A
SCHEMBL9418677 0.67 MARS1 (0.72) MARS1CNR1SMPD1RPA1MEN1
SCHEMBL15579545 0.67 RPA1 (0.57) CNR1SMPD1RPA1MEN1KMT2A
SCHEMBL976450 0.66 CNR1 (0.54) CNR1SMPD1RPA1MEN1KMT2A
SCHEMBL5157539 0.66 CNR1 (1.00) CNR1RPA1MEN1KMT2ALMNA
SCHEMBL17203783 0.66 CNR1 (0.67) MARS1CNR1SMPD1RPA1MEN1

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 MARS1 1832/4885CNR1 1786/4885SMPD1 1060/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MARS1 1832/4885CNR1 1786/4885SMPD1 1060/4885

“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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