SCHEMBL6170882

SCHEMBL6170882

CCOC(=O)c1cn(Cc2ccc(C#N)cc2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
ELANE P08246 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
IDH1 O75874 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GRM5 P41594 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL6163869 0.96 POLB (0.45) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL6163207 0.95 TSHR (0.46) TSHRLMNAPOLBELANERXFP1
SCHEMBL7105719 0.95 POLB (0.47) TSHRSMN1; SMN2POLBELANERXFP1
SCHEMBL6165876 0.93 MAPT (0.39) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL7106877 0.92 PDE3B (0.42) TDP1TSHRSMN1; SMN2POLBELANE
SCHEMBL7108857 0.91 POLB (0.46) TSHRSMN1; SMN2POLBELANERXFP1
SCHEMBL6164731 0.91 TSHR (0.45) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL6163697 0.91 TSHR (0.45) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL6166501 0.90 MAPT (0.47) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL7106232 0.90 CYP11B1 (0.43) LMNAIDH1KLKB1KLK1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI MAPT 4356/4885TDP1 1302/4885TSHR 1192/4885

“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.