SCHEMBL4113391

SCHEMBL4113391

Cc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)Nc2ccc(CN(C(=O)O)C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4113384 1.00 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL335366 0.77 LMNA (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL335365 0.77 LMNA (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL10891483 0.77 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL4100731 0.76 PLG (0.54) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL4086777 0.75 MAPT (0.58) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL699996 0.75 MAPT (0.58) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL8210875 0.72 NAMPT (0.54) KMT2AMEN1MAPTNPSR1NPC1
SCHEMBL17094907 0.71 POLB (0.58) KMT2AMEN1MAPTNPC1POLB
SCHEMBL356816 0.70 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1NPSR1

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-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 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-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, TFPI2, F9 KMT2A 3068/4885MEN1 3850/4885MAPT 2888/4885

“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.