SCHEMBL3734199

SCHEMBL3734199

C#CC(C)(C)NC(=O)C(Oc1ccc2ncc(C#CC)cc2c1)SC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TNIK Q9UKE5 2/20 0.31
ACACB O00763 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
HPGDS O60760 1/20 0.30
ALPL P05186 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
SCHEMBL3739362 0.92 ALDH1A1 (0.34) PARP1ALDH1A1F2GLAHPGD
SCHEMBL3732272 0.91 MEN1 (0.36) MEN1KMT2APARP1ALDH1A1F2
SCHEMBL3740811 0.91 ALDH1A1 (0.42) MEN1KMT2AALDH1A1F2GLA
SCHEMBL13040817 0.91 TNIK (0.41) MEN1KMT2AALDH1A1F2GLA
SCHEMBL3734746 0.90 HPGDS (0.36) PARP1ALDH1A1F2GLAHPGD
SCHEMBL3799127 0.88 EGLN1 (0.35) MEN1KMT2AALDH1A1F2GLA
SCHEMBL157007 0.88 ALDH1A1 (0.33) PARP1ALDH1A1F2GLAHPGD
SCHEMBL3739395 0.87 ALDH1A1 (0.32) PARP1ALDH1A1F2GLAHPGD
SCHEMBL12181920 0.86 ALDH1A1 (0.45) MEN1KMT2AALDH1A1F2GLA
SCHEMBL13077473 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1F2GLA

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 5 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

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 MEN1 430/4885KMT2A 1666/4885PARP1 4148/4885

“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.