SCHEMBL19601474

SCHEMBL19601474

CC[S+]([O-])c1ccccc1NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AOC1 P19801 1/20 0.30
AOC3 Q16853 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
SCHEMBL12139313 0.79 TDP1 (0.40) TDP1IDO1ALDH1A1LMNACYP3A4
SCHEMBL17812980 0.79 KDM4E (0.38) TDP1IDO1ALDH1A1TSHRRECQL
SCHEMBL8221902 0.78 TDP1 (0.39) TDP1IDO1ALDH1A1LMNACYP3A4
SCHEMBL18720497 0.72 GABRA1 (0.39) LMNACYP3A4TSHRRECQLL3MBTL1
SCHEMBL28149024 0.71
SCHEMBL2962223 0.71 TDP1 (0.57) TDP1IDO1ALDH1A1LMNACYP3A4
SCHEMBL19705372 0.69 TSHR (0.50) TSHRATML3MBTL1
SCHEMBL3882276 0.69 ACHE (0.39) TDP1ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL777552 0.69 ACHE (0.37) IDO1HSD17B10L3MBTL1AOC3
SCHEMBL8097565 0.67 ALDH1A1 (0.46) TDP1IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TDP1 3842/4885IDO1 1966/4885ALDH1A1 4131/4885

“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.