SCHEMBL4887332

SCHEMBL4887332

O=C(O)C1CCCN1C(=O)c1ccno1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GYS1 P13807 1/20 0.46
CHRNA4 P43681 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DGAT1 O75907 2/20 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
SCHEMBL4887329 1.00 CA2 (0.48) CA2ALDH1A1THRBALOX12KMT2A
SCHEMBL6786504 0.80 GYS1 (0.59) CA2ALDH1A1THRBALOX12KMT2A
SCHEMBL6786508 0.80 GYS1 (0.59) CA2ALDH1A1THRBALOX12KMT2A
SCHEMBL845267 0.77 RHOC (0.46) ALDH1A1KMT2A
SCHEMBL15904059 0.77 ALDH1A1 (0.47) CA2ALDH1A1THRBALOX12KMT2A
SCHEMBL3337286 0.76 CHRNA4 (0.47) KMT2ACHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL5310085 0.75 CHRNA7 (0.56) CA2ALDH1A1SMN1; SMN2GYS1CHRNA7
SCHEMBL17327488 0.75 ALDH1A1 (0.48) CA2ALDH1A1KMT2AGYS1CHRNA4
SCHEMBL3332235 0.75 CHRNA4 (0.59) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3335516 0.75 CHRNA4 (0.43) KMT2ACHRNA4CHRNB2CHRNB4CHRNA3

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E CA2 1113/4885ALDH1A1 276/4885THRB 4137/4885

“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.