SCHEMBL12373215

SCHEMBL12373215

CCOC(=O)c1ccc(NC(=O)CC(C[N+](=O)[O-])c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 7/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12617086 0.91 FNTA (0.45) MAPTFNTAFNTBNPSR1KMT2A
SCHEMBL12373210 0.86 MAPT (0.45) MAPTFNTAFNTBNPSR1KMT2A
SCHEMBL1998336 0.83 SMN1; SMN2 (0.54) MAPTFNTAFNTBKMT2ASMN1; SMN2
SCHEMBL12373216 0.77 FNTA (0.46) FNTAFNTBALDH1A1HPGD
SCHEMBL16221614 0.77 TDP1 (0.44) MAPTFNTAFNTBKMT2ASMN1; SMN2
SCHEMBL2000274 0.74 SMN1; SMN2 (0.48) MAPTKMT2ASMN1; SMN2MEN1CYP1A2
SCHEMBL9294262 0.72 F2 (0.50) MAPTKMT2AMEN1CYP3A4LMNA
SCHEMBL10832538 0.71 NPC1 (0.38) FNTAFNTBKMT2AMEN1CYP1A2
SCHEMBL1995072 0.70 FNTA (0.51) MAPTFNTAFNTBKMT2AMEN1
SCHEMBL12373209 0.70 L3MBTL1 (0.61) MAPTNPSR1KMT2ASMN1; SMN2MEN1

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-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 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-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A MAPT 4441/4885FNTA 2310/4885FNTB 1660/4885

“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.