SCHEMBL2844324

SCHEMBL2844324

O=C(NO)C(c1ccccc1)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
CCR3 P51677 1/20 0.51
TP53 P04637 2/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 1/20 0.49
NPY2R P49146 1/20 0.49
RAD52 P43351 1/20 0.48
HTR1A P08908 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
STAT1 P42224 1/20 0.47
REV1 Q9UBZ9 1/20 0.47
ALOX15 P16050 1/20 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
SCHEMBL2841585 0.90 NPY2R (0.51) ALDH1A1GAALMNANPY2RMAPT
SCHEMBL8114825 0.87 NPY2R (0.52) ALDH1A1CCR3NPY2RSTAT1
SCHEMBL31287365 0.86 LMNA (0.58) GAACCR3TP53GLALMNA
SCHEMBL2842498 0.86 SCN5A (0.52) CCR3NPY2RHTR1A
SCHEMBL2848507 0.84 HDAC4 (0.64) ALDH1A1CCR3TP53GLAHTR1A
SCHEMBL13509270 0.83 MC4R (0.55) ALDH1A1GAAHTTCCR3GLA
SCHEMBL27798395 0.82 SCN5A (0.59) ALDH1A1GAAHTT
SCHEMBL2848431 0.80 ALDH1A1 (0.47) ALDH1A1GAAHTTLMNAMAPT
SCHEMBL27798439 0.79 ALDH1A1 (0.52) ALDH1A1GAAHTTTP53MAPT
SCHEMBL20490354 0.79 TP53 (0.55) ALDH1A1HTTCCR3TP53GLA

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 532/4885GAA 328/4885HTT 1010/4885

“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.