SCHEMBL335945

SCHEMBL335945

Nc1nccc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(N4CCCC4)cc3)c3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.56
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
ESR1 P03372 1/20 0.45
NR4A1 P22736 1/20 0.45
PTK2B Q14289 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
PKM P14618 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 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
SCHEMBL335778 0.94 F10 (0.55) F10KMT2AALDH1A1MEN1F9
SCHEMBL336037 0.90 F10 (0.46) F10MAPTSMN1; SMN2KCNQ2F9
SCHEMBL335901 0.88 F10 (0.47) F10F9
SCHEMBL27562531 0.85 F10 (0.53) F10KMT2AALDH1A1MEN1MAPK1
SCHEMBL335437 0.85 F10 (0.46) F10MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL335037 0.84 F9 (0.55) F10KMT2ARAB9AMEN1PKM
SCHEMBL335746 0.84 F10 (0.46) F10MAPTRAB9ASMN1; SMN2KCNQ2
SCHEMBL334986 0.82 MAPT (0.44) F10MAPTKMT2ANPC1RAB9A
SCHEMBL336483 0.81 F9 (0.54) F10F9
SCHEMBL335105 0.81 MAPT (0.44) MAPTKMT2AUSP2ESR1NR4A1

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 8 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-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP claimed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO 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 F10 9/4885MAPT 3998/4885KMT2A 3783/4885

“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.