SCHEMBL335105

SCHEMBL335105

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KCNQ2 O43526 1/20 0.41
PDGFRB P09619 1/20 0.40

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
SCHEMBL335486 0.94 MAPK14 (0.44) MAPTKMT2AALDH1A1GAAPDGFRB
SCHEMBL335211 0.88 ABL1 (0.41) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL336367 0.88 MAPT (0.47) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL335948 0.87 ABL1 (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL335878 0.85 ABL1 (0.43) MAPTSMN1; SMN2ABL1FABP6POLB
SCHEMBL335576 0.85 ABL1 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL336586 0.85 GRIN1 (0.44) KDRABL1FABP6CHEK2F9
SCHEMBL8219489 0.85 F9 (0.43) MAPTKMT2ARAB9ASMN1; SMN2PKM
SCHEMBL335390 0.85 ABL1 (0.44) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL334809 0.85 DGAT1 (0.45) MAPTKMT2AALDH1A1KDM4ENPC1

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 6 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
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
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 MAPT 3998/4885KMT2A 3783/4885USP2 3363/4885

“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.