SCHEMBL3737469

SCHEMBL3737469

C#Cc1cnc2ccc(OC(SC)C(=O)NC3(C#C)CCCCC3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
PTGFR P43088 1/20 0.32
THRB P10828 1/20 0.31
TNIK Q9UKE5 1/20 0.31
ABL1 P00519 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL2866336 0.97 ALDH1A1 (0.32) KDM4EATMALDH1A1F2GLA
SCHEMBL3724346 0.90 KDM4E (0.38) KDM4EATMALDH1A1F2GLA
SCHEMBL3805501 0.87 GPR88 (0.34) ALDH1A1F2GLAHPGDPTGFR
SCHEMBL534615 0.85 PARP1 (0.32) ALDH1A1F2GLAHPGDPTGFR
SCHEMBL534833 0.85 ALDH1A1 (0.31) ALDH1A1F2GLAHPGDPTGFR
SCHEMBL534679 0.85 SCN9A (0.36) ALDH1A1F2GLAHPGDPTGFR
SCHEMBL2869255 0.84 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDPTGFR
SCHEMBL534714 0.83 ALDH1A1 (0.32) ALDH1A1F2GLAHPGDPTGFR
SCHEMBL3735248 0.83 HPGDS (0.38) ALDH1A1F2GLAHPGDABL1
SCHEMBL3803992 0.83 ALDH1A1 (0.32) ALDH1A1F2GLAHPGDPTGFR

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-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
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 KDM4E 1036/4885ATM 4079/4885MEN1 430/4885

“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.