SCHEMBL6167083

SCHEMBL6167083

N#Cc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3ccccc3C#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KDR P35968 1/20 0.45
DGAT2 Q96PD7 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL6166874 0.85 F10 (0.52)
SCHEMBL6166602 0.85 DEGS1 (0.44) DEGS1SMN1; SMN2NAMPTALDH1A1LMNA
SCHEMBL6166089 0.85 F10 (0.45) DEGS1SMN1; SMN2NAMPTALDH1A1LMNA
SCHEMBL6165552 0.85 F10 (0.52)
SCHEMBL6166613 0.84 DEGS1 (0.43) DEGS1SMN1; SMN2NAMPTALDH1A1LMNA
SCHEMBL6162229 0.82 SCN3A (0.44) DEGS1SMN1; SMN2NAMPTALDH1A1LMNA
SCHEMBL6163283 0.82 SCN3A (0.44) DEGS1SMN1; SMN2NAMPTALDH1A1LMNA
SCHEMBL6162195 0.76 SCN3A (0.40) DEGS1NAMPTALDH1A1LMNADGAT2
SCHEMBL6167709 0.76 SCN3A (0.40) DEGS1NAMPTALDH1A1LMNADGAT2
SCHEMBL22752008 0.73 ROCK2 (0.58) SMN1; SMN2NAMPTALDH1A1LMNAGAA

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 DEGS1 2512/4885SMN1; SMN2 3889/4885NAMPT 348/4885

“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.