SCHEMBL19711920

SCHEMBL19711920

CCSc1c(C(C)=O)nc2cc(C(F)(F)F)ccn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.39
TRPA1 O75762 1/20 0.36
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 4/20 0.33
GFER P55789 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
ATM Q13315 1/20 0.32
DDR1 Q08345 2/20 0.32
POLB P06746 1/20 0.32
MAT2A P31153 1/20 0.32

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
SCHEMBL19712036 0.90 USP7 (0.39) USP7TRPA1KMT2AALDH1A1KDM4E
SCHEMBL19711966 0.89 USP7 (0.39) USP7TRPA1ALDH1A1KDM4EGFER
SCHEMBL20781347 0.89 USP7 (0.41) USP7TRPA1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL19711967 0.89 USP7 (0.39) USP7TRPA1KMT2AALDH1A1KDM4E
SCHEMBL20765235 0.87 KDM4E (0.46) USP7TRPA1KMT2AALDH1A1KDM4E
SCHEMBL19711996 0.86 PTGS1 (0.42) KMT2AALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL19711983 0.83 USP7 (0.35) USP7TRPA1KMT2AALDH1A1KDM4E
SCHEMBL23387940 0.81 TRPA1 (0.39) USP7TRPA1KMT2AALDH1A1KDM4E
SCHEMBL20781338 0.81 USP7 (0.40) USP7TRPA1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19712030 0.80 USP7 (0.40) USP7TRPA1KMT2AALDH1A1KDM4E

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 USP7 4156/4885TRPA1 25/4885KMT2A 1249/4885
US-10882869-B2 Condensed heterocyclic compounds and pesticides CNPY3, CNPY2, CHRM1 USP7 3940/4885TRPA1 436/4885KMT2A 2763/4885
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 USP7 4156/4885TRPA1 25/4885KMT2A 1249/4885
US-10464950-B2 Condensed heterocyclic compounds and pesticides HDAC3, CHRM3, NR1D2 USP7 4156/4885TRPA1 25/4885KMT2A 1249/4885

“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.