SCHEMBL13659658

SCHEMBL13659658

O=C(CNCCCn1ccnc1)NC[C@H](NC(=O)c1ccc(-c2cnccn2)cc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP19A1 P11511 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
CYP26A1 O43174 2/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 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
SCHEMBL1912190 0.88 CYP26A1 (0.55) SMN1; SMN2NPC1POLBKDM4EHTT
SCHEMBL13655065 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1ALDH1A1CYP19A1POLB
SCHEMBL436331 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1POLBKDM4EHTT
SCHEMBL1109352 0.73 HDAC4 (0.47) MAPK1
SCHEMBL1109333 0.71 KDM4E (0.54) SMN1; SMN2NPC1ALDH1A1POLBKDM4E
SCHEMBL1109426 0.71 GRIN1 (0.52)
SCHEMBL10287211 0.69 SLC6A2 (0.38) CYP26A1
SCHEMBL14082170 0.69 NAMPT (0.67) SMN1; SMN2NPC1ALDH1A1CYP19A1POLB
SCHEMBL1109442 0.68 L3MBTL1 (0.49) SMN1; SMN2HTTMEN1KMT2A
SCHEMBL14082497 0.68 NPC1 (0.68) SMN1; SMN2NPC1ALDH1A1CYP19A1POLB

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-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885NPC1 371/4885ALDH1A1 782/4885

“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.