SCHEMBL335524

SCHEMBL335524

CCN(CC)c1ccc(C(=O)NC(c2ccccc2Cl)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 8/20 0.43
MAPT P10636 2/20 0.39
IKBKB O14920 1/20 0.39
DGAT1 O75907 2/20 0.39
CHEK2 O96017 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
F9 P00740 1/20 0.37
F7 P08709 1/20 0.37

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
SCHEMBL335191 0.92 MAPT (0.45) NR2E3MAPTIKBKBDGAT1CHEK2
SCHEMBL335555 0.91 MAPT (0.39) NR2E3MAPTIKBKBSMN1; SMN2KMT2A
SCHEMBL335484 0.89 MAPT (0.43) NR2E3MAPTIKBKBCHEK2SMN1; SMN2
SCHEMBL335215 0.88 NR2E3 (0.44) NR2E3MAPTDGAT1CHEK2SMN1; SMN2
SCHEMBL336687 0.87 MAPT (0.39) NR2E3MAPTIKBKBDGAT1CHEK2
SCHEMBL335886 0.87 F7 (0.37) NR2E3MAPTIKBKBCHEK2SMN1; SMN2
SCHEMBL337002 0.87 MAPT (0.41) NR2E3MAPTIKBKBSMN1; SMN2HCRTR1
SCHEMBL335959 0.85 MAPT (0.41) NR2E3MAPTIKBKBCHEK2SMN1; SMN2
SCHEMBL335968 0.85 MAPT (0.41) MAPTIKBKBDGAT1SMN1; SMN2MEN1
SCHEMBL335837 0.85 EPHX2 (0.45) MAPTSMN1; SMN2MEN1KMT2A

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 5 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
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN claimed
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 NR2E3 4880/4885MAPT 3998/4885IKBKB 230/4885

“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.