SCHEMBL20636712

SCHEMBL20636712

CCSc1c(C(=O)N(C)OC)nn2ccc(C(F)(F)F)cc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.34
GRIN2B Q13224 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GRIN1 Q05586 3/20 0.32
POLQ O75417 3/20 0.31
GFER P55789 2/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 1/20 0.31
SLC2A1 P11166 1/20 0.30
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL20636705 0.83 KMT2A (0.37) GRIN2BPTGDR2GFERHTTSLC2A1
SCHEMBL20636708 0.83 POLB (0.37) PTGDR2GFERHTTSLC2A1ALDH1A1
Hydrochloric Acid SCHEMBL20636716 0.82 POLB (0.37) PTGDR2GFERHTTSLC2A1ALDH1A1
SCHEMBL20636714 0.82 HTT (0.36) GRIN2BPTGDR2GFERHTTSLC2A1
SCHEMBL20636702 0.82 MAPT (0.39) ALDH1A1
SCHEMBL19711983 0.75 USP7 (0.35) MLYCDGRIN2BPTGDR2GFERALDH1A1
SCHEMBL18908841 0.70 ALDH1A1 (0.41) MLYCDPOLQALDH1A1
SCHEMBL21307805 0.68 CFTR (0.42) ALDH1A1
SCHEMBL20636695 0.68 PDE10A (0.37)
SCHEMBL20636720 0.67 MAPT (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759815-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2020-09-01 US disclosed
US-20200223868-A1 CONDENSED HETEROCLYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL CORPORATION (JP) 2020-07-16 US disclosed
US-10640518-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2020-05-05 US disclosed
US-20200095263-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL CORPORATION (JP) 2020-03-26 US disclosed
US-10544163-B2 Condensed heterocyclic compounds and pesticides NISSAN CHEMICAL CORPORATION (JP) 2020-01-28 US disclosed
EP-3428166-A1 CONDENSED HETEROCYCLIC COMPOUND AND PEST CONTROL AGENT Nissan Chemical Corporation (JP) 2019-01-16 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 (5 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-10759815-B2 Condensed heterocyclic compounds and pesticides NR4A1, CHRM1, NR1D2 MLYCD 2828/4885GRIN2B 221/4885PTGDR2 1731/4885
US-20200223868-A1 CONDENSED HETEROCLYCLIC COMPOUNDS AND PESTICIDES CHRM1, HCRTR1, NR4A1 MLYCD 2970/4885GRIN2B 503/4885PTGDR2 2183/4885
US-10544163-B2 Condensed heterocyclic compounds and pesticides NR4A1, CHRM1, NR1D2 MLYCD 2814/4885GRIN2B 244/4885PTGDR2 1656/4885
US-20200095263-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NR4A1, CHRM1, NR1D2 MLYCD 2814/4885GRIN2B 244/4885PTGDR2 1656/4885
US-10640518-B2 Condensed heterocyclic compounds and pesticides NR4A1, CHRM1, NR1D2 MLYCD 2777/4885GRIN2B 213/4885PTGDR2 1701/4885

“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.