SCHEMBL6328104

SCHEMBL6328104

CCOCc1cccc(-c2noc(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 5/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 3/20 0.41
USP2 O75604 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
SCHEMBL6332706 0.92 TSHR (0.52) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6332733 0.89 GAA (0.47) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6328356 0.88 TSHR (0.50) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6331331 0.88 MAPT (0.51) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6330633 0.88 HPGD (0.49) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6326426 0.87 KMT2A (0.54) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6324654 0.87 TSHR (0.60) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6327904 0.86 HPGD (0.59) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6326496 0.86 HPGD (0.49) TSHRKMT2AHPGDCYP1A2CYP2D6
SCHEMBL6326413 0.85 HPGD (0.50) TSHRKMT2AHPGDCYP1A2CYP2D6

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 TSHR 4656/4885KMT2A 152/4885HPGD 539/4885

“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.