SCHEMBL17812980

SCHEMBL17812980

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.32
EGFR P00533 1/20 0.32
PABPC1 P11940 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.32
APP P05067 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL19601474 0.79 TDP1 (0.36) TDP1L3MBTL1ALDH1A1RECQLHSD17B10
SCHEMBL7742909 0.77 KDM4E (0.41) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL3882276 0.72 ACHE (0.39) MAPTTDP1ALDH1A1HSD17B10TSHR
SCHEMBL777552 0.72 ACHE (0.37) KDM4EL3MBTL1HSD17B10IDO1
SCHEMBL21637950 0.72 MAPT (0.38) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL22924898 0.71 TSHR (0.38) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL4775922 0.71
SCHEMBL28149024 0.71
SCHEMBL16511614 0.68 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL18720497 0.68 GABRA1 (0.39) L3MBTL1HPGDRECQLTSHR

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
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 KDM4E 1943/4885POLB 3540/4885MAPT 3026/4885

“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.