SCHEMBL6166613

SCHEMBL6166613

N#Cc1ccccc1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C=NN)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.43
NAMPT P43490 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SCN3A Q9NY46 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
IKBKB O14920 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ROCK1 Q13464 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL6166356 0.84 F10 (0.49)
SCHEMBL6164345 0.84 F10 (0.49)
SCHEMBL6167083 0.84 DEGS1 (0.48) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6163523 0.84 F10 (0.44) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6163770 0.84 DEGS1 (0.37) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6166602 0.81 DEGS1 (0.44) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6167450 0.81 HDAC3 (0.43) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6163957 0.81 DEGS1 (0.42) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6163010 0.81 DEGS1 (0.42) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6166615 0.80 SCN3A (0.37) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
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 DEGS1 2512/4885NAMPT 348/4885SMN1; SMN2 3889/4885

“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.