SCHEMBL6326486

SCHEMBL6326486

CN(C)CCOc1cccc(-c2noc(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 3/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6333224 0.92 HPGD (0.50) HPGDGAAKMT2ATSHRMAPT
SCHEMBL6326413 0.92 HPGD (0.50) HPGDGAAKMT2AMEN1TSHR
SCHEMBL6331331 0.91 MAPT (0.51) HPGDGAAKMT2AMEN1TSHR
SCHEMBL6326426 0.90 KMT2A (0.54) HPGDGAAKMT2AMEN1TSHR
SCHEMBL6328389 0.88 GAA (0.53) HPGDGAAKMT2AMEN1TSHR
SCHEMBL6332421 0.87 HPGD (0.46) HPGDGAAKMT2AMEN1TSHR
SCHEMBL6328356 0.86 TSHR (0.50) HPGDGAAKMT2ATSHRMAPT
SCHEMBL6324654 0.85 TSHR (0.60) HPGDGAAKMT2ATSHRMAPT
SCHEMBL6323802 0.85 HPGD (0.52) HPGDGAAKMT2AMEN1TSHR
SCHEMBL6330633 0.84 HPGD (0.49) HPGDGAAKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 HPGD 539/4885GAA 2424/4885KMT2A 152/4885

“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.