SCHEMBL17832804

SCHEMBL17832804

CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ PKM P14618 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP7 P55210 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
SCHEMBL18819419 0.92 NPC1 (0.32) NPC1MAPTRAB9ACASP1TP53
SCHEMBL18819796 0.89 — —
SCHEMBL18819807 0.88 L3MBTL1 (0.34) ALDH1A1KDM4EL3MBTL1GSRHPGD
SCHEMBL21869899 0.85 DDR1 (0.30) —
SCHEMBL18819764 0.85 ALDH1A1 (0.35) ALDH1A1NPC1MAPTRAB9ACASP1
SCHEMBL17832751 0.85 ALDH1A1 (0.35) ALDH1A1NPC1MAPTRAB9ACASP1
SCHEMBL24286105 0.83 PTGS2 (0.34) ALDH1A1NPC1RAB9APTGS2DHODH
SCHEMBL18819856 0.83 CNR2 (0.41) NPC1MAPTRAB9ACASP1TP53
SCHEMBL17967734 0.83 DDR1 (0.31) ALDH1A1
SCHEMBL31534715 0.83 DDR1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 — — EP disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 — — US disclosed
US-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 — — 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
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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 (4 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-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE ALDH1A1 468/4885NPC1 2996/4885MAPT 2284/4885
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE ALDH1A1 961/4885NPC1 3324/4885MAPT 407/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE ALDH1A1 961/4885NPC1 3324/4885MAPT 407/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE ALDH1A1 468/4885NPC1 2996/4885MAPT 2284/4885

“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.

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