SCHEMBL11894337

SCHEMBL11894337

COC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
POLB P06746 2/20 0.52
PTPN1 P18031 1/20 0.52
LMNA P02545 1/20 0.49
SIGMAR1 Q99720 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
SCHEMBL12798282 1.00 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL11894339 1.00 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1666887 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL11893428 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL15888530 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1666291 0.82 HPGD (0.52) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL15099937 0.82 HPGD (0.52) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL1666294 0.82 HPGD (0.52) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL11893591 0.81 HPGD (0.44) ALDH1A1L3MBTL1NPC1RAB9AMEN1
SCHEMBL11893590 0.81 HPGD (0.44) ALDH1A1L3MBTL1NPC1RAB9AMEN1

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 8 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-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 US disclosed
US-8865704-B2 Wnt pathway antagonists SIENA BIOTECH S.P.A. (IT) 2014-10-21 US disclosed
EP-2485728-B1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH SPA (IT) 2013-07-10 EP disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
US-20120196851-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 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-20120196851-A1 WNT PATHWAY ANTAGONISTS WNT1, WNT3A, CTNNB1 ALDH1A1 1797/4885L3MBTL1 3370/4885NPC1 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.