SCHEMBL2852863

SCHEMBL2852863

S=[C]Nc1nccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.47
▸ PLAU P00749 2/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ F12 P00748 1/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CFTR P13569 1/20 0.38

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
SCHEMBL969344 0.81 FDPS (0.51) FDPSPLAUCYP2A6F12NCF1
SCHEMBL34467229 0.78 EGFR (0.56) FDPSPLAUCYP2A6F12NCF1
SCHEMBL6175758 0.78 EGFR (0.56) FDPSPLAUCYP2A6F12NCF1
SCHEMBL4479184 0.75 CYP2A6 (0.55) FDPSPLAUCYP2A6F12NCF1
SCHEMBL1133566 0.75 FDPS (0.56) FDPSPLAUCYP2A6F12NCF1
SCHEMBL24170548 0.75 FDPS (0.51) FDPSPLAUCYP2A6F12NCF1
SCHEMBL159146 0.75 PLAU (0.55) FDPSPLAUCYP2A6F12NCF1
SCHEMBL27931662 0.75 FDPS (0.51) FDPSPLAUCYP2A6F12NCF1
SCHEMBL3062069 0.74 FDPS (0.47) FDPSPLAUCYP2A6F12NCF1
Hydrazine SCHEMBL5804370 0.73 PLAU (0.53) FDPSPLAUCYP2A6F12NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 — — US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 — — EP disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 — — US disclosed
EP-1809653-A1 SUBSTITUTED NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 — — EP disclosed
WO-2006042654-A1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 — — 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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP FDPS 111/4885PLAU 1854/4885CYP2A6 3442/4885

“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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