SCHEMBL5851764

SCHEMBL5851764

O=C(O)CC(=O)Nn1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 9/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ CYP2B6 P20813 1/20 0.57
▸ CYP4F8 P98187 1/20 0.57
▸ CYP4F12 Q9HCS2 1/20 0.57
▸ EGLN3 Q9H6Z9 1/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MGAM O43451 2/20 0.47
▸ AMY1A P0DUB6 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SI P14410 2/20 0.47
▸ MGAM2 Q2M2H8 2/20 0.47

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
SCHEMBL6388692 0.86 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL4866578 0.84 CYP4Z1 (0.53) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL4865106 0.83 CYP4Z1 (0.52) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL2748 0.79 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1757403 0.79 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL9346882 0.79 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1757405 0.79 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL11464650 0.79 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL14359614 0.76 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL26617288 0.76 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 — — US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 — — WO 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 CYP4Z1 95/4885CYP1A2 54/4885CYP2C8 169/4885

“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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