SCHEMBL12962809

SCHEMBL12962809

CCOc1c(C(=O)N(C)CCN(CC)CC)sc2c(C)c(C)nc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.36
▸ MAPK1 P28482 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HTR2C P28335 1/20 0.30
▸ UBE2M P61081 1/20 0.30
▸ DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL1061205 0.90 HPGD (0.35) HPGDMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL14780908 0.89 HPGD (0.34) HPGD
SCHEMBL1062229 0.81 HPGD (0.35) HPGDALDH1A1KDM4E
SCHEMBL12963047 0.81 HPGD (0.35) HPGDMAPK1L3MBTL1THRB
SCHEMBL1060720 0.74 HPGD (0.34) HPGDMAPK1L3MBTL1KDM4ETHRB
SCHEMBL14780905 0.73 HPGD (0.33) HPGDMAPK1L3MBTL1THRBHDAC4
SCHEMBL1062597 0.72 MEN1 (0.41) HPGDL3MBTL1ALDH1A1THRB
SCHEMBL1063037 0.71 HPGD (0.35) HPGDMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL10314556 0.69 ELANE (0.35) MAPK1KDM4E
SCHEMBL3401033 0.68 TARBP2 (0.49) ALDH1A1KDM4EHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 HPGD 920/4885MAPK1 2399/4885L3MBTL1 3902/4885

“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.

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