SCHEMBL12932829

SCHEMBL12932829

COc1cc(Cl)nc(NCC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
MAPK8 P45983 1/20 0.35
NUDT1 P36639 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL12932833 0.88 CYP1A2 (0.47) IDH1CYP1A2HTTEHMT2EHMT1
SCHEMBL9086602 0.86 IDH1 (0.42) IDH1EHMT2EHMT1MAPK8NUDT1
SCHEMBL8345562 0.83 LMNA (0.47) IDH1CYP1A2HTTKDM4E
SCHEMBL12963095 0.80 CYP1A2 (0.47) IDH1CYP1A2HTTALDH1A1SMN1; SMN2
SCHEMBL9083901 0.79 NUDT1 (0.44) IDH1MAPK8NUDT1
SCHEMBL12933406 0.79 KMT2A (0.41) IDH1CYP1A2HTTSMN1; SMN2KDM4E
SCHEMBL12963409 0.77 CYP1A2 (0.47) IDH1CYP1A2HTTALDH1A1SMN1; SMN2
SCHEMBL10672823 0.76 HTT (0.71) CYP1A2HTTALDH1A1SMN1; SMN2TSHR
SCHEMBL9083709 0.75 IDH1 (0.39) IDH1CYP1A2SMN1; SMN2MAPK8NUDT1
SCHEMBL12933415 0.75 MAPT (0.51) CYP1A2HTTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 IDH1 365/4885CYP1A2 4430/4885HTT 327/4885

“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.