SCHEMBL17824512

SCHEMBL17824512

CCOC(=O)c1nc2ccc(Br)cc2cc1SCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TARBP2 Q15633 1/20 0.46
ATM Q13315 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ELANE P08246 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL21525836 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TARBP2ATMMAPT
SCHEMBL17832802 0.89 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2MAPTTSHRELANE
SCHEMBL17824499 0.86 TARBP2 (0.47) ALDH1A1TARBP2MAPTTSHRSIRT2
SCHEMBL17824490 0.84 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL17824422 0.83 KMT2A (0.47) ALDH1A1TARBP2MAPTMAPK1TSHR
SCHEMBL2004025 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TARBP2ATMMAPT
SCHEMBL30165401 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TARBP2ATMMAPT
SCHEMBL17824505 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TARBP2ATMMAPT
SCHEMBL17824410 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1ELANE
SCHEMBL24212384 0.75 TARBP2 (0.39) ALDH1A1SMN1; SMN2TARBP2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001364-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-06-16 CN disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
EP-3230284-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-10-18 EP disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 WO disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 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 (2 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE ALDH1A1 961/4885SMN1; SMN2 367/4885TARBP2 3047/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE ALDH1A1 961/4885SMN1; SMN2 367/4885TARBP2 3047/4885

“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.