SCHEMBL335756

SCHEMBL335756

CCN(CC)c1ccc(C(=O)NC(c2ccc(OC)cc2)C(O)C(=O)Nc2ccc3[nH]c(N)nc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
COMT P21964 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ESRRG P62508 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RORC P51449 2/20 0.37
KLK7 P49862 1/20 0.37
STAT3 P40763 1/20 0.36
CNR2 P34972 1/20 0.36
PKM P14618 1/20 0.35
ROCK2 O75116 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
SCHEMBL336083 0.88 F9 (0.41) METAP2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL336996 0.87 MEN1 (0.44) SMN1; SMN2MAPTMEN1KMT2AESRRG
SCHEMBL337002 0.85 MAPT (0.41) SMN1; SMN2MAPTESRRGCNR2
SCHEMBL335484 0.84 MAPT (0.43) SMN1; SMN2MAPTCNR2
SCHEMBL335283 0.84 MAPT (0.37) SMN1; SMN2MAPTMEN1KMT2AESRRG
SCHEMBL335848 0.83 MCHR1 (0.42) SMN1; SMN2MAPTESRRG
SCHEMBL334843 0.81 KDR (0.45) COMTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL335303 0.81 MAPT (0.40) SMN1; SMN2MAPTESRRG
SCHEMBL336055 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL335968 0.80 MAPT (0.41) RAB9ASMN1; SMN2MAPTMEN1KMT2A

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 METAP2 1005/4885COMT 4308/4885NPC1 2621/4885

“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.