Sugi Predict

Sugi Predict / Compounds / SCHEMBL17891998

SCHEMBL17891998

SCHEMBL17891998

CCSc1cc2ccccc2nc1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRNP P04156 2/20 0.38
▸ HPGD P15428 2/20 0.37

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
SCHEMBL18795109 0.87 MAPK1 (0.43) TLR8ALDH1A1KMT2AKDM4EMEN1
SCHEMBL17824510 0.87 ALDH1A1 (0.54) TLR8ALDH1A1KMT2AKDM4EMEN1
SCHEMBL18795092 0.83 TLR8 (0.41) TLR8ALDH1A1KMT2AKDM4EMEN1
SCHEMBL17824422 0.82 KMT2A (0.47) TLR8ALDH1A1KMT2AKDM4EMEN1
SCHEMBL17891991 0.79 PTGS2 (0.38) TLR8ALDH1A1KMT2AKDM4EMEN1
SCHEMBL18050194 0.75 HPGD (0.40) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL18795098 0.74 GAA (0.45) TLR8ALDH1A1KMT2AKDM4EMEN1
SCHEMBL18795114 0.73 MAPT (0.49) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL17891980 0.73 TLR8 (0.44) TLR8ALDH1A1KMT2AKDM4ENPSR1
SCHEMBL18819859 0.73 ALDH1A1 (0.46) TLR8ALDH1A1KMT2AMEN1NPSR1

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
CN-107108612-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-05-15 — — CN disclosed
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-02-05 — — US disclosed
EP-3240788-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-26 — — EP disclosed
US-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-01-11 — — US disclosed
EP-3240788-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-11-08 — — EP disclosed
WO-2016107742-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-07 — — 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-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, GSTO1 TLR8 4601/4885ALDH1A1 774/4885KMT2A 3254/4885
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, GSTO1 TLR8 4601/4885ALDH1A1 774/4885KMT2A 3254/4885

“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.