SCHEMBL2848431

SCHEMBL2848431

O=C(NO)C(c1ccccc1)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CCR1 P32246 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT1 P42224 1/20 0.43
DRD2 P14416 1/20 0.43
PRCP P42785 1/20 0.43
CCR5 P51681 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2842489 0.91 TSHR (0.52) ALDH1A1GAATSHRLMNASCN5A
SCHEMBL2837085 0.84 LMNA (0.48) ALDH1A1TSHRLMNARAB9ACYP3A4
SCHEMBL2844938 0.83 MEN1 (0.51) ALDH1A1GAAHTTKMT2A
SCHEMBL2844324 0.80 ALDH1A1 (0.52) ALDH1A1GAAHTTLMNASTAT1
SCHEMBL27798395 0.78 SCN5A (0.59) ALDH1A1GAAHTTSCN5ASCN9A
SCHEMBL2863942 0.78 SCD (0.52) ALDH1A1GAAHTTTSHRLMNA
SCHEMBL753850 0.77 LMNA (0.63) ALDH1A1GAATSHRLMNACYP3A4
SCHEMBL2839009 0.75 SLC6A2 (0.54) TSHRSCN5ASCN9AKMT2A
SCHEMBL2846505 0.75 GAA (0.68) ALDH1A1GAATSHRLMNACYP3A4
SCHEMBL27776748 0.75 LMNA (0.56) GAALMNA

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.