SCHEMBL16112121

SCHEMBL16112121

O=C(NO)c1cc(-c2ccccc2Cl)nn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CXCR5 P32302 1/20 0.51
APLNR P35414 1/20 0.51
CCR6 P51684 1/20 0.51
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FABP3 P05413 3/20 0.47
SNCA P37840 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GRM5 P41594 1/20 0.47
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL16111755 0.84 LMNA (0.53) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16112364 0.83 SMN1; SMN2 (0.61) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16112358 0.82 LMNA (0.72) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16111429 0.80 LMNA (0.49) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16111460 0.78 LMNA (0.53) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16111912 0.77 HPGD (0.49) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL17290437 0.77 FABP3 (0.49) ALDH1A1LMNASMN1; SMN2FABP3SNCA
SCHEMBL17295136 0.77 FABP3 (0.49) ALDH1A1LMNASMN1; SMN2FABP3SNCA
SCHEMBL16112713 0.77 HPGD (0.44) ALDH1A1LMNASMN1; SMN2CXCR5APLNR
SCHEMBL16112572 0.76 ALDH1A1 (0.43) ALDH1A1LMNASMN1; 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 ALDH1A1 559/4885LMNA 468/4885SMN1; 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.