SCHEMBL210658

SCHEMBL210658

Nc1ncc(Oc2cccnc2)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAP4K4 O95819 2/20 0.43
CYP19A1 P11511 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LTA4H P09960 3/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL13699054 0.82 NPC1 (0.42) TDP1ALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL10329778 0.77 MAP4K4 (0.43) MAP4K4ALDH1A1SMN1; SMN2
SCHEMBL21384250 0.74 MAP4K4 (0.43) MAP4K4ALDH1A1KDM4E
SCHEMBL2667719 0.74 RAB9A (0.41) LMNATDP1ALDH1A1CHRNB2CHRNA4
SCHEMBL2667405 0.74 CYP1A2 (0.46) MAP4K4
SCHEMBL10329783 0.74 ALDH1A1 (0.50) LMNATDP1MAP4K4ALDH1A1HTT
SCHEMBL2667227 0.73 POLB (0.36) ALDH1A1SMN1; SMN2CHRNB2CHRNA4KDM4E
SCHEMBL676142 0.73 LMNA (0.82) LMNATDP1CYP11B1CYP11B2MAP4K4
SCHEMBL30535283 0.73 LMNA (0.82) LMNATDP1CYP11B1CYP11B2MAP4K4
SCHEMBL31510782 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHTT

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885TDP1 701/4885CYP11B1 3901/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1851/4885TDP1 669/4885CYP11B1 3173/4885

“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.