SCHEMBL4122037

SCHEMBL4122037

Nc1nc2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)Nc3ccc(C4CCCCC4)cc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
DGAT1 O75907 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GFER P55789 1/20 0.40
DEGS1 O15121 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.38
ULK1 O75385 1/20 0.38

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
SCHEMBL4107324 0.87 CYP2D6 (0.53) CYP2D6CYP2C9KDM4EMAPTALDH1A1
SCHEMBL4107321 0.87 CYP2D6 (0.53) CYP2D6CYP2C9KDM4EMAPTALDH1A1
SCHEMBL15623872 0.87 CYP2D6 (0.42) CYP2D6CYP2C9KDM4EMAPTALDH1A1
SCHEMBL4113434 0.85 CYP2D6 (0.52) CYP2D6CYP2C9KDM4EMAPTALDH1A1
SCHEMBL334809 0.84 DGAT1 (0.45) CYP2D6CYP2C9KDM4EMAPTALDH1A1
SCHEMBL4100714 0.82 ABL1 (0.52) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL4102032 0.81 MAPT (0.47) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL4115769 0.81 KDR (0.46) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4113010 0.81 EGFR (0.48) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL8214601 0.81 PLAU (0.43) KDM4EMAPTALDH1A1HPGDKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069288-B1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2014-03-26 EP claimed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
WO-2008031508-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO 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-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, TFPI2, F9 CYP2D6 769/4885CYP2C9 91/4885KDM4E 3131/4885

“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.