SCHEMBL4123591

SCHEMBL4123591

Nc1nc2ccc(NC(=O)[C@H](O)[C@@H](N)c3ccccc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.48
ABL1 P00519 1/20 0.48
FABP6 P51161 1/20 0.48
BAZ1A Q9NRL2 1/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR2E3 Q9Y5X4 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL335832 1.00 ACP1 (0.48) ACP1ABL1FABP6BAZ1AMAPT
SCHEMBL4109421 1.00 ACP1 (0.48) ACP1ABL1FABP6BAZ1AMAPT
SCHEMBL4100714 0.88 ABL1 (0.52) ACP1ABL1FABP6MAPTRAB9A
SCHEMBL15282285 0.86 ACP1 (0.46) ACP1ABL1FABP6BAZ1AMAPT
SCHEMBL15282212 0.86 ACP1 (0.46) ACP1ABL1FABP6BAZ1AMAPT
SCHEMBL4115801 0.82 GRIN1 (0.53) ABL1FABP6MAPTALDH1A1SMN1; SMN2
SCHEMBL335351 0.81 EGFR (0.50) ACP1ABL1FABP6RAB9AKDM4E
SCHEMBL336367 0.81 MAPT (0.47) ACP1ABL1FABP6MAPTRAB9A
SCHEMBL335393 0.81 ACP1 (0.42) ACP1ABL1FABP6MAPTRAB9A
SCHEMBL4113916 0.81 NR2E3 (0.45) ACP1ABL1FABP6BAZ1AMAPT

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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
WO-2008031509-A1 ISOSERINE 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 ACP1 1423/4885ABL1 2660/4885FABP6 3044/4885

“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.