SCHEMBL3740890

SCHEMBL3740890

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 4/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP4K4 O95819 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 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
SCHEMBL3732364 0.87 MAPT (0.35) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3724351 0.86 SCN9A (0.39) SCN9AALDH1A1SMN1; SMN2KDM4EF2
SCHEMBL3730552 0.85 SCN9A (0.39) SCN9AALDH1A1F2GLAHPGD
SCHEMBL535392 0.85 HSD17B10 (0.35) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3732370 0.85 MAPT (0.35) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3738998 0.85 ALDH1A1 (0.35) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL535391 0.85 HSD17B10 (0.35) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL2222296 0.85 SCN9A (0.40) SCN9AALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL3728868 0.85 SMN1; SMN2 (0.32) SCN9AALDH1A1SMN1; SMN2NPSR1MAP4K4
SCHEMBL3730763 0.84 MAP4K4 (0.31) MAPTMAP4K4

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 SCN9A 1091/4885ALDH1A1 350/4885MAPT 3438/4885

“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.