SCHEMBL7108448

SCHEMBL7108448

N#Cc1ccc(NC(=O)Cc2ccccc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ADRA2C P18825 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
DUSP3 P51452 1/20 0.48
RORC P51449 5/20 0.47
NAMPT P43490 2/20 0.47
IDO1 P14902 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL6163952 0.94 LMNA (0.57) LMNAADRA2CALDH1A1MEN1MAPT
SCHEMBL6165957 0.91 LMNA (0.64) LMNAADRA2CALDH1A1MEN1MAPT
SCHEMBL6167046 0.89 RORC (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7101534 0.88 LMNA (0.63) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL6164911 0.80 ADRA2C (0.61) LMNAADRA2CPTGDR2
SCHEMBL6166508 0.79 ADRA2C (0.56) LMNAADRA2CALDH1A1MEN1KMT2A
SCHEMBL6165690 0.78 ADRA2C (0.52) ADRA2CMAPTIDO1SMN1; SMN2
SCHEMBL6164394 0.78 MAPT (0.64) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL18132381 0.76 RORC (0.52) LMNAMEN1KMT2ARORCNAMPT
SCHEMBL8639463 0.75 CYP1A2 (0.63) LMNAALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US 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 LMNA 772/4885ADRA2C 1810/4885ALDH1A1 1388/4885

“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.