SCHEMBL3728868

SCHEMBL3728868

C#Cc1cnc2c(C)cc(OC(CC)C(=O)NC(C)(C)CO)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 1/20 0.32
SCN9A Q15858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAP4K4 O95819 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3727671 0.91 SMN1; SMN2 (0.34) SMN1; SMN2PARP1NPSR1ALDH1A1
SCHEMBL13077956 0.91 EGLN1 (0.32) SMN1; SMN2PARP1NPSR1
SCHEMBL3735221 0.90 SMN1; SMN2 (0.32) SMN1; SMN2PARP1NPSR1ALDH1A1
SCHEMBL3727041 0.90 SMN1; SMN2 (0.33) SMN1; SMN2PARP1NPSR1ALDH1A1
SCHEMBL22528913 0.86 SMN1; SMN2 (0.36) SMN1; SMN2PARP1NPSR1ALDH1A1
SCHEMBL3732260 0.86 PARP1 (0.31) PARP1SCN9A
SCHEMBL534637 0.85 SMN1; SMN2 (0.30) SMN1; SMN2PARP1
SCHEMBL534638 0.85 SMN1; SMN2 (0.30) SMN1; SMN2PARP1
SCHEMBL15605612 0.85 SMN1; SMN2 (0.35) SMN1; SMN2PARP1NPSR1ALDH1A1
SCHEMBL3728831 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 SMN1; SMN2 3396/4885PARP1 4148/4885SCN9A 1091/4885

“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.