SCHEMBL6166706

SCHEMBL6166706

NN=Cc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 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
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 1/20 0.42
PORCN Q9H237 2/20 0.42
DEGS1 O15121 1/20 0.41
HDAC4 P56524 1/20 0.41
CHRNA7 P36544 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACP1 P24666 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
SCHEMBL6166700 0.81 F10 (0.51) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL6163395 0.81 NAMPT (0.44) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL6169840 0.79 NAMPT (0.42) NAMPTALDH1A1LMNAGAAHTT
Trifluoroacetic Acid SCHEMBL7106426 0.76 F10 (0.53) NAMPTALDH1A1LMNAGAAHTT
Trifluoroacetic Acid SCHEMBL6164333 0.76 DEGS1 (0.45) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL6166356 0.74 F10 (0.49)
SCHEMBL6164345 0.74 F10 (0.49)
SCHEMBL6163523 0.73 F10 (0.44) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL6166613 0.73 DEGS1 (0.43) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL25875923 0.72 ROCK1 (0.55) NAMPTALDH1A1LMNAGAAHTT

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 NAMPT 348/4885ALDH1A1 1388/4885LMNA 772/4885

“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.