SCHEMBL4677019

SCHEMBL4677019

OCc1ccc(OCc2ccccc2F)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
CD274 Q9NZQ7 10/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
IDO1 P14902 2/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PDCD1 Q15116 1/20 0.39

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
SCHEMBL3712519 0.81 MAOB (0.50) MAOBCD274IDO1PDCD1
SCHEMBL510464 0.79 FFAR1 (0.47) CD274LMNA
SCHEMBL18094426 0.78 GABRA5 (0.45) MAOBUSP2ALDH1A1LMNAIDO1
SCHEMBL2937570 0.78 MAOB (0.71) MAOBIDO1PARP15PARP14PARP10
SCHEMBL9237638 0.78 CXCR2 (0.44) MAOBLMNAIDO1PARP10
SCHEMBL4677195 0.77 GCK (0.59) MAOBPARP15PARP14PARP10
SCHEMBL1462206 0.73 GABRA5 (0.53) MAOBPARP15PARP14PARP10
SCHEMBL10253645 0.72 IDO1 (0.42) MAOBCD274USP2ALDH1A1LMNA
SCHEMBL8877320 0.72 PTPN1 (0.64) MAOBPARP15PARP14PARP10SCN3A
Hydrochloric Acid SCHEMBL2139516 0.71 IDO1 (0.44) MAOBCD274USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 MAOB 2221/4885CD274 2424/4885USP2 3635/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 MAOB 2221/4885CD274 2424/4885USP2 3635/4885

“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.