Sugi Predict

Sugi Predict / Compounds / SCHEMBL4166372

SCHEMBL4166372

SCHEMBL4166372

COc1cc(OC)cc(C(=O)c2ccc3c(c2)OCCN3C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL3732675 0.80 CYP2C9 (0.54) PTGER3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13949116 0.80 PDE4A (0.54) —
SCHEMBL4167281 0.80 PDE4A (0.54) —
SCHEMBL4819956 0.80 RAB9A (0.63) CTNNB1WNT3AMAPTSMN1; SMN2NPC1
SCHEMBL4164703 0.79 ALDH1A1 (0.51) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL13596347 0.78 MEN1 (0.56) PTGER3MAPTTP53HDAC3HDAC4
SCHEMBL29650191 0.78 PTGER3 (0.50) PTGER3MAPTTP53ATMHDAC3
SCHEMBL2064097 0.78 PTGER3 (0.50) PTGER3MAPTTP53ATMHDAC3
SCHEMBL29976743 0.78 MEN1 (0.56) PTGER3MAPTTP53HDAC3HDAC4
SCHEMBL1493999 0.78 LMNA (0.50) NPC1LMNATHRBSCN5ASCN9A

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
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION 2009-02-12 — — US disclosed
US-7468446-B2 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION (US) 2008-12-23 — — US disclosed
CN-101052630-A Substituted heterocyclic compounds and uses thereof CELGENE CORP (US) 2007-10-10 — — CN disclosed
EP-1794139-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-13 — — EP disclosed
WO-2006028963-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-16 — — WO disclosed
US-20060052596-A1 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION 2006-03-09 — — 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 (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-20060052596-A1 Substituted heterocyclic compounds and uses thereof NQO1, LTC4S, VHL CTNNB1 2971/4885WNT3A 3642/4885PTGER3 651/4885
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF NQO1, LTC4S, VHL CTNNB1 2971/4885WNT3A 3642/4885PTGER3 651/4885

“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.