SCHEMBL336996

SCHEMBL336996

CCN(CC)c1ccc(C(=O)NC(c2ccccc2OC)C(O)C(=O)Nc2ccc3[nH]c(N)nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
HCRTR1 O43613 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HPSE Q9Y251 5/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
GHSR Q92847 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.36
CHEK2 O96017 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL335886 0.88 F7 (0.37) MEN1KMT2ASMN1; SMN2HCRTR1CACNA1B
SCHEMBL335924 0.88 CHEK2 (0.40) MEN1KMT2ASMN1; SMN2HPSEMAPT
SCHEMBL335756 0.87 METAP2 (0.40) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL335191 0.85 MAPT (0.45) SMN1; SMN2HCRTR1CACNA1BAPBA1MAPT
SCHEMBL335524 0.84 NR2E3 (0.43) MEN1KMT2ASMN1; SMN2HCRTR1CACNA1B
SCHEMBL335555 0.84 MAPT (0.39) KMT2ASMN1; SMN2HCRTR1CACNA1BAPBA1
SCHEMBL335484 0.82 MAPT (0.43) SMN1; SMN2HCRTR1CACNA1BAPBA1MAPT
SCHEMBL335283 0.81 MAPT (0.37) MEN1KMT2ASMN1; SMN2HCRTR1CACNA1B
SCHEMBL336083 0.81 F9 (0.41) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL336055 0.79 MAPT (0.46) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed

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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 MEN1 2521/4885KMT2A 3783/4885SMN1; SMN2 4382/4885

“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.