SCHEMBL2458130

SCHEMBL2458130

C=C(Nc1ccc(OC(C)=O)cc1)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
MAPT P10636 9/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 1/20 0.52
GPR119 Q8TDV5 3/20 0.52
LMNA P02545 3/20 0.52
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 6/20 0.48
ESR2 Q92731 1/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP2 O75604 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
NR2F2 P24468 2/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL11889641 0.90 MAPT (0.59) NAMPTMAPTSMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5333653 0.87 MAPT (0.46) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL29803251 0.80 MAPT (0.69) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL30182423 0.80 MAPT (0.69) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3256196 0.80 NAMPT (0.69) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6942730 0.78 GAA (0.69) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL29037711 0.78 NAMPT (0.69) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL11889698 0.77 MAPT (0.61) MAPTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL31034622 0.77 NAMPT (0.67) NAMPTMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL24891887 0.76 MAPT (0.64) NAMPTMAPTSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 EP disclosed
US-8012982-B2 Modulators of HCV replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-09-06 US disclosed
US-20090069344-A1 Modulators of hcv replication ISTITUTO DI RICERCHE BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-03-12 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-20090069344-A1 Modulators of hcv replication EIF2AK2, IRF3, IFNAR1 NAMPT 3232/4885MAPT 4662/4885SMN1; SMN2 4644/4885

“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.