SCHEMBL6324829

SCHEMBL6324829

COc1ccc(-c2noc(CCC(=O)NCCCNc3n[nH]c(=O)c4c(F)ccc(F)c34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ POLB P06746 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ TSHR P16473 6/20 0.54
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 6/20 0.52
▸ HPGD P15428 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TP53 P04637 2/20 0.49
▸ ATM Q13315 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL6328474 0.84 GAA (0.57) GAAHTTSMN1; SMN2POLBKDM4E
SCHEMBL6326150 0.82 MAPT (0.51) GAAHTTSMN1; SMN2POLBKDM4E
SCHEMBL6328207 0.82 GAA (0.53) GAAHTTSMN1; SMN2POLBKDM4E
SCHEMBL6323563 0.81 TSHR (0.57) GAAHTTSMN1; SMN2POLBTSHR
SCHEMBL6332336 0.80 GAA (0.53) GAAHTTSMN1; SMN2POLBKDM4E
SCHEMBL6323802 0.79 HPGD (0.52) GAAHTTSMN1; SMN2TSHRMAPT
SCHEMBL6328519 0.78 TP53 (0.52) GAAHTTSMN1; SMN2POLBKDM4E
SCHEMBL6326426 0.78 KMT2A (0.54) GAAHTTSMN1; SMN2TSHRMAPT
SCHEMBL6326111 0.78 TSHR (0.51) GAAHTTSMN1; SMN2POLBKDM4E
SCHEMBL6325780 0.78 HPGD (0.47) GAAHTTSMN1; SMN2POLBTSHR

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 GAA 2424/4885HTT 1266/4885SMN1; SMN2 3494/4885

“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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