SCHEMBL19712031

SCHEMBL19712031

CCSc1c(-c2nc3nc(C(F)(F)F)ccc3n2C)nc2cc(C(F)(F)F)ccn12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
DRD3 P35462 2/20 0.32
KCNH2 Q12809 2/20 0.32
USP7 Q93009 1/20 0.31
HRH1 P35367 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
SCHEMBL19712019 0.84 TRPA1 (0.35) TRPA1DRD3KCNH2USP7HRH1
SCHEMBL19711924 0.83 TRPA1 (0.34) TRPA1DRD3KCNH2USP7HRH1
SCHEMBL19712024 0.77 POLB (0.45) TRPA1DRD3KCNH2USP7HRH1
SCHEMBL20781338 0.75 USP7 (0.40) TRPA1DRD3KCNH2USP7HRH1
SCHEMBL19712014 0.74 TRPA1 (0.37) TRPA1USP7
SCHEMBL19711935 0.74 POLB (0.37) TRPA1DRD3KCNH2USP7HRH1
SCHEMBL19712034 0.73 L3MBTL1 (0.32) TRPA1
SCHEMBL19712018 0.73 L3MBTL1 (0.32) TRPA1
SCHEMBL19711973 0.73 POLB (0.36) TRPA1DRD3KCNH2HRH1
SCHEMBL23639756 0.72 TRPA1 (0.34) TRPA1USP7

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
EP-3257853-B1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL CORP (JP) 2021-11-10 EP disclosed
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL CORPORATION (JP) 2021-01-21 US disclosed
US-10882869-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2021-01-05 US disclosed
US-10464950-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2019-11-05 US disclosed
US-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-25 US disclosed
EP-3257853-A1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2017-12-20 EP 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-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 TRPA1 25/4885DRD3 27/4885KCNH2 164/4885
US-10882869-B2 Condensed heterocyclic compounds and pesticides CNPY3, CNPY2, CHRM1 TRPA1 436/4885DRD3 139/4885KCNH2 105/4885
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 TRPA1 25/4885DRD3 27/4885KCNH2 164/4885
US-10464950-B2 Condensed heterocyclic compounds and pesticides HDAC3, CHRM3, NR1D2 TRPA1 25/4885DRD3 27/4885KCNH2 164/4885

“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.