SCHEMBL16112358

SCHEMBL16112358

O=C(NO)c1cc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 9/20 0.72
▸ ALDH1A1 P00352 8/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ CXCR5 P32302 1/20 0.72
▸ APLNR P35414 1/20 0.72
▸ CCR6 P51684 1/20 0.72
▸ KDM4E B2RXH2 3/20 0.66
▸ KMT2A Q03164 3/20 0.62
▸ HPGD P15428 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ MAPT P10636 3/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HTT P42858 3/20 0.60
▸ GRM5 P41594 4/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ RECQL P46063 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL26341491 0.85 LMNA (0.72) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341512 0.84 LMNA (1.00) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL28203159 0.84 ALDH1A1 (0.67) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL3260907 0.84 ALDH1A1 (0.67) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL16111460 0.83 LMNA (0.53) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL26341663 0.82 LMNA (0.72) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL16112121 0.82 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL16111755 0.82 LMNA (0.53) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL27172726 0.81 ALDH1A1 (0.63) LMNAALDH1A1SMN1; SMN2CXCR5APLNR
SCHEMBL19002413 0.81 LMNA (0.63) LMNAALDH1A1SMN1; SMN2CXCR5APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 — — US claimed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 — — WO claimed
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 — — US disclosed
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 — — US disclosed
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 — — US disclosed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 — — WO disclosed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 — — 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-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 LMNA 468/4885ALDH1A1 559/4885SMN1; SMN2 3271/4885

“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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