SCHEMBL1063993

SCHEMBL1063993

C=Cc1ncnc(N2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.33
HRH1 P35367 1/20 0.33
MAP4K4 O95819 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL9029494 0.80 SMN1; SMN2 (0.52) MAPTMAPK1SMN1; SMN2POLBUSP2
SCHEMBL9052997 0.75 MAPT (0.44) MAPTMAPK1SMN1; SMN2POLBUSP2
SCHEMBL28256286 0.72 ALDH1A1 (0.44) SMN1; SMN2USP2TDP1HTTKMT2A
SCHEMBL17784880 0.72 ALDH1A1 (0.44) MAPTMAPK1SMN1; SMN2POLBUSP2
SCHEMBL2733447 0.71 HRH4 (0.46) MAPTMAPK1SMN1; SMN2USP2TDP1
SCHEMBL873896 0.71
SCHEMBL4316997 0.70 TSHR (0.59) MAPK1SMN1; SMN2TSHRHTTALDH1A1
Hydrochloric Acid SCHEMBL28169526 0.70 ALDH1A1 (0.43) MAPTSMN1; SMN2POLBUSP2TDP1
SCHEMBL29582269 0.69 ALDH1A1 (0.41) SMN1; SMN2KMT2AALDH1A1MAP4K4
SCHEMBL28220128 0.69 ALDH1A1 (0.41) SMN1; SMN2KMT2AALDH1A1MAP4K4

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 6 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-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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 (3 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885MAPK1 1612/4885SMN1; SMN2 3671/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885MAPK1 1612/4885SMN1; SMN2 3671/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885MAPK1 1612/4885SMN1; SMN2 3671/4885

“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.