SCHEMBL3727686

SCHEMBL3727686

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)CC)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
SCN9A Q15858 2/20 0.32
MET P08581 2/20 0.32
EGLN2 Q96KS0 1/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGDS O60760 1/20 0.30
EP300 Q09472 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
SCHEMBL3730552 0.92 SCN9A (0.39) ALDH1A1HPGDF2GLASCN9A
SCHEMBL13785404 0.91 PARP1 (0.34) ALDH1A1HPGDF2GLASCN9A
SCHEMBL3738591 0.91 MET (0.33) ALDH1A1HPGDF2GLASCN9A
SCHEMBL3729083 0.91 ALDH1A1 (0.33) ALDH1A1HPGDF2GLASCN9A
SCHEMBL3735835 0.91 ALDH1A1 (0.34) KDM4EALDH1A1HPGDF2GLA
SCHEMBL3730918 0.91 MAPT (0.35) SMN1; SMN2KDM4EMAPTALDH1A1HPGD
SCHEMBL632771 0.90 HPGDS (0.36) MAPTALDH1A1HPGDF2GLA
SCHEMBL3730459 0.90 ALDH1A1 (0.31) ALDH1A1HPGDF2GLAPPARA
SCHEMBL3730533 0.90 SCN9A (0.34) ALDH1A1HPGDF2GLASCN9A
SCHEMBL3732441 0.90 KDM4E (0.34) KDM4EMAPTALDH1A1HPGDF2

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 RAB9A 1196/4885SMN1; SMN2 3396/4885KDM4E 1036/4885

“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.