SCHEMBL19327406

SCHEMBL19327406

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(I)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CETP P11597 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 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
SCHEMBL17231824 0.86 UTRN (0.38) UTRNKDM4EALDH1A1HPGDGAA
SCHEMBL29431610 0.85 UTRN (0.38) UTRNKDM4EALDH1A1HPGDGAA
SCHEMBL15846613 0.85 UTRN (0.38) UTRNKDM4EALDH1A1HPGDGAA
SCHEMBL16346425 0.83 UTRN (0.34) UTRN
SCHEMBL17609284 0.80 UTRN (0.40) UTRNHDAC3HDAC1HDAC2HDAC8
SCHEMBL20144323 0.77 POLB (0.32) KDM4ESMN1; SMN2
SCHEMBL17309728 0.76 KDM4E (0.44) UTRNKDM4EALDH1A1HPGDGAA
SCHEMBL14678186 0.76 POLB (0.36) KDM4EALDH1A1MAPTSMN1; SMN2PPARG
SCHEMBL20144318 0.74 — —
SCHEMBL15616837 0.74 AGPAT2 (0.46) UTRNKDM4EALDH1A1HPGDGAA

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
US-20200055850-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-20 — — US claimed
US-20170260182-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US claimed
US-20200055850-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-20 — — US disclosed
US-10435401-B2 Pesticidally active tetracyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-10-08 — — US disclosed
EP-3194394-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-09 — — EP disclosed
US-20170260182-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US 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 (3 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-20170260182-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTO1 UTRN 4289/4885KDM4E 3374/4885ALDH1A1 567/4885
US-20200055850-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 UTRN 4095/4885KDM4E 3266/4885ALDH1A1 535/4885
US-10435401-B2 Pesticidally active tetracyclic derivatives with sulphur containing substituents DDT, ACHE, GSTO1 UTRN 4289/4885KDM4E 3374/4885ALDH1A1 567/4885

“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.

Send feedback