SCHEMBL4022893

SCHEMBL4022893

SCCCc1ccc2ncccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL4020874 0.85 DAO (0.56) DAONPC1POLBRAB9AKCNH2
SCHEMBL29827516 0.83 ALDH1A1 (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL6358947 0.83 DAO (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL13463756 0.83 DAO (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL6115157 0.83 ALDH1A1 (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL5540682 0.83 DAO (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL3158800 0.83 DAO (0.51) DAONPC1POLBRAB9AKCNH2
SCHEMBL4195374 0.82 ALDH1A1 (0.50) DAONPC1POLBRAB9AKCNH2
SCHEMBL5535997 0.82 DAO (0.50) DAONPC1POLBRAB9AKCNH2
SCHEMBL3711594 0.82 DAO (0.50) DAONPC1POLBRAB9AKCNH2

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-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 DAO 2122/4885NPC1 282/4885POLB 2048/4885

“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.