SCHEMBL12373212

SCHEMBL12373212

COC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MMP1 P03956 11/20 0.57
MMP2 P08253 11/20 0.57
MMP9 P14780 11/20 0.57
EGFR P00533 9/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TOP2A P11388 1/20 0.53
DEGS1 O15121 1/20 0.52
ALPG P10696 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL12373209 0.89 L3MBTL1 (0.61) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL16221616 0.85 NPC1 (0.81) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL24579667 0.79 KMT2A (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16221617 0.78 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL1996366 0.78 MMP1 (0.72) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL1996368 0.78 MMP1 (0.72) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL12555382 0.77 MEN1 (0.72) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL6582272 0.76 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL6582277 0.76 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL28609662 0.75 SMN1; SMN2 (0.74) NPC1RAB9AMEN1KMT2AMMP1

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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A NPC1 904/4885RAB9A 2823/4885MEN1 2273/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A NPC1 904/4885RAB9A 2823/4885MEN1 2273/4885

“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.