SCHEMBL17832751

SCHEMBL17832751

CCSc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 6/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ PKM P14618 2/20 0.33

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
SCHEMBL19456039 0.90 KDM4E (0.35) ALDH1A1KDM4ENPC1MAPTTSHR
SCHEMBL17832724 0.90 SMN1; SMN2 (0.34) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL17832804 0.85 ALDH1A1 (0.34) ALDH1A1KDM4ENPC1MAPTTSHR
SCHEMBL22199235 0.85 CA2 (0.31) ALDH1A1
SCHEMBL22190321 0.85 MEN1 (0.33) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL21925124 0.85 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL20633534 0.84 ALDH1A1 (0.32) ALDH1A1KDM4ENPC1MAPTTSHR
SCHEMBL30958301 0.84 ALDH1A1 (0.34) ALDH1A1NPC1MAPTTSHRSMN1; SMN2
SCHEMBL29814406 0.84 ALDH1A1 (0.32) ALDH1A1KDM4ENPC1MAPTTSHR
SCHEMBL17824525 0.84 — —

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 5 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-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
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 961/4885KDM4E 3650/4885NPC1 3324/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE ALDH1A1 961/4885KDM4E 3650/4885NPC1 3324/4885

“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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