SCHEMBL335486

SCHEMBL335486

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(N4CCOCC4)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
AURKA O14965 4/20 0.43
HDAC1 Q13547 2/20 0.43
ACP1 P24666 1/20 0.42
MAPK1 P28482 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK2 O96017 1/20 0.41
FGFR1 P11362 2/20 0.41
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL335105 0.94 MAPT (0.44) ACP1MEN1GAAMAPTKMT2A
SCHEMBL335211 0.87 ABL1 (0.41) ACP1MAPK1MEN1MAPTKMT2A
SCHEMBL336367 0.86 MAPT (0.47) ACP1MAPK1MAPTCHEK2ALDH1A1
SCHEMBL335948 0.86 ABL1 (0.45) HDAC1ACP1MAPTCHEK2HDAC3
SCHEMBL335878 0.84 ABL1 (0.43) HDAC1ACP1MAPK1MAPTHDAC3
SCHEMBL8219489 0.83 F9 (0.43) ACP1MAPK1MEN1MAPTKMT2A
SCHEMBL336586 0.83 GRIN1 (0.44) ACP1CHEK2KDR
SCHEMBL335576 0.83 ABL1 (0.43) ACP1MAPK1MAPTALDH1A1LMNA
SCHEMBL335390 0.83 ABL1 (0.44) ACP1MEN1MAPTKMT2ACHEK2
SCHEMBL335526 0.83 ABL1 (0.42) HDAC1ACP1MAPK1MEN1MAPT

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 MAPK14 1846/4885AURKA 2985/4885HDAC1 1953/4885

“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.