SCHEMBL11960896

SCHEMBL11960896

COc1ccc2c(c1)c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccnc(OC)c3)CC1)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TNKS O95271 2/20 0.42
▸ TNKS2 Q9H2K2 2/20 0.42
▸ PARG Q86W56 1/20 0.42
▸ MET P08581 2/20 0.41
▸ PIK3CA P42336 4/20 0.41
▸ PRKDC P78527 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11949875 0.90 TNKS (0.51) TP53TSHRNPC1LMNAPOLB
SCHEMBL11961753 0.89 MAPT (0.44) TP53TSHRNPC1LMNAPOLB
SCHEMBL11960898 0.87 MTNR1A (0.50) TP53TSHRLMNAMAPTPARG
SCHEMBL16181499 0.86 TNKS (0.46) TP53TSHRNPC1LMNAPOLB
SCHEMBL11960885 0.85 TNKS (0.46) TP53TSHRNPC1LMNAPOLB
SCHEMBL11961786 0.85 NPC1 (0.48) TP53TSHRNPC1LMNAPOLB
SCHEMBL11960994 0.85 PIK3CA (0.45) TP53TSHRNPC1LMNAPOLB
SCHEMBL11961289 0.85 MAPT (0.44) TP53TSHRNPC1LMNAPOLB
SCHEMBL11960887 0.84 FAAH (0.43) TP53TSHRNPC1LMNAPOLB
SCHEMBL11960996 0.83 TNKS (0.50) TP53LMNASMN1; SMN2TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 — — US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 — — 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 (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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 TP53 403/4885TSHR 4195/4885NPC1 803/4885

“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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