SCHEMBL2867979

SCHEMBL2867979

C#Cc1cnc2ccc(OCOC(=O)CS)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.36
PDE3B Q13370 7/20 0.33
PDE3A Q14432 7/20 0.33
P2RY12 Q9H244 7/20 0.33
EP300 Q09472 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
EGFR P00533 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL2872336 0.81 PDE3B (0.42) ALDH1A1F2GLAHPGDPARP1
SCHEMBL2867975 0.77 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDPARP1
SCHEMBL534548 0.75 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDPARP1
SCHEMBL2867984 0.72 ALDH1A1 (0.40) ALDH1A1F2GLAHPGDPARP1
SCHEMBL2872338 0.71 ALDH1A1 (0.43) ALDH1A1F2GLAHPGDPARP1
SCHEMBL534549 0.71 ALDH1A1 (0.40) ALDH1A1F2GLAHPGDPARP1
SCHEMBL12817605 0.71 ALDH1A1 (0.41) ALDH1A1F2GLAHPGDPARP1
SCHEMBL534707 0.69 MAP4K4 (0.44) ALDH1A1PARP1PDE3BPDE3APDGFRB
SCHEMBL17203163 0.69 PARP1 (0.40) ALDH1A1F2GLAHPGDPARP1
SCHEMBL3739359 0.68 ALDH1A1 (0.36) ALDH1A1F2GLAHPGDPARP1

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 4 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO 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 ALDH1A1 350/4885F2 4237/4885GLA 1984/4885

“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.