SCHEMBL209840

SCHEMBL209840

COC(=O)c1ccc(CSc2nccc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 5/20 0.61
HPGD P15428 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 1/20 0.59
KDM4E B2RXH2 5/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MIF P14174 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL210526 0.90 ALDH1A1 (0.62) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL27900976 0.84 METAP2 (0.53) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL210511 0.82 HDAC1 (0.67) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL23929026 0.80 TP53 (0.61) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL28652347 0.79 TP53 (0.60) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL2302038 0.78 TP53 (0.68) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL5583241 0.77 ALDH1A1 (0.50) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL28351671 0.75 MAPT (0.60) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL16920966 0.74 NPC1 (0.50) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL25002894 0.73 KMT2A (0.56) MAPTALDH1A1HPGDSMN1; SMN2POLB

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 4 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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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 MAPT 3612/4885ALDH1A1 680/4885HPGD 1120/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3905/4885ALDH1A1 758/4885HPGD 971/4885

“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.