SCHEMBL21715796

SCHEMBL21715796

CCn1c(Br)nc(-c2nc3cc(C(F)(F)F)ncc3n2C)c1S(=O)(=O)CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ S1PR1 P21453 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CNR2 P34972 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL20379037 0.92 KCNH2 (0.33) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL29574504 0.92 KCNH2 (0.33) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL21715798 0.88 LMNA (0.37) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL20393709 0.86 RORC (0.33) LMNAHTTS1PR1HPGDKCNH2
SCHEMBL20393713 0.85 NLRP3 (0.42) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL20393874 0.85 LMNA (0.35) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL20386962 0.85 CNR2 (0.38) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL20393714 0.84 PTGS2 (0.38) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL20393835 0.83 KCNH2 (0.33) LMNAHTTSMN1; SMN2S1PR1HPGD
SCHEMBL20393831 0.82 S1PR1 (0.36) LMNAHTTSMN1; SMN2S1PR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — 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 (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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 LMNA 1100/4885HTT 448/4885SMN1; SMN2 2358/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 LMNA 1100/4885HTT 448/4885SMN1; SMN2 2358/4885

“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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