SCHEMBL13077461

SCHEMBL13077461

CSC(Oc1cc(C)c2ncc(C)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
PARP1 P09874 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL12181891 0.90 HPGDS (0.35) POLB
SCHEMBL1927591 0.89 POLB (0.31) POLB
SCHEMBL13077888 0.89 MEN1 (0.32)
SCHEMBL13077466 0.88 POLB (0.30) POLB
SCHEMBL12181876 0.88 ALDH1A1 (0.32) POLB
SCHEMBL13077460 0.87 SCN9A (0.31)
SCHEMBL14859875 0.87 PARP1 (0.34) PARP1
SCHEMBL633818 0.86 PARP1 (0.33) POLBPARP1
SCHEMBL3727982 0.86
SCHEMBL3732835 0.86 PARP1 (0.36) POLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-04-18 US disclosed
US-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-04-18 US disclosed
US-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-04-18 US disclosed
EP-2397467-A1 Quinoline derivatives as fungicides Syngenta Participations AG (CH) 2011-12-21 EP disclosed
EP-2397467-A1 Quinoline derivatives as fungicides Syngenta Participations AG (CH) 2011-12-21 EP disclosed
WO-2011154240-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-15 WO 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 (2 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-20130096156-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 POLB 4679/4885PARP1 4322/4885CCR1 2008/4885
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 POLB 4575/4885PARP1 4148/4885CCR1 2987/4885

“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.