SCHEMBL6325780

SCHEMBL6325780

O=C(CCc1nc(-c2ccc(F)c(F)c2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.47
▸ GAA P10253 5/20 0.47
▸ HTT P42858 4/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 8/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ USP2 O75604 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL6324738 0.93 HPGD (0.47) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6326111 0.91 TSHR (0.51) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6327917 0.89 HPGD (0.47) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6326412 0.89 TSHR (0.51) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6323594 0.89 TSHR (0.51) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL5072002 0.89 HPGD (0.51) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6325453 0.89 TSHR (0.47) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6327904 0.89 HPGD (0.59) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6331242 0.89 HPGD (0.48) HPGDGAAHTTCYP1A2CYP2D6
SCHEMBL6328284 0.88 HPGD (0.52) HPGDGAAHTTCYP1A2CYP2D6

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 2424/4885HTT 1266/4885

“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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