SCHEMBL19711996

SCHEMBL19711996

CCOC(=O)c1nc2cc(C(F)(F)F)ccn2c1SCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
PDE4A P27815 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL20765235 0.90 KDM4E (0.46) PTGS1PTGS2MAPTKDM4EMEN1
SCHEMBL19711920 0.86 USP7 (0.39) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL19712036 0.86 USP7 (0.39) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL30099146 0.85 PTGS1 (0.39) PTGS1PTGS2MAPTKDM4ENPC1
Hydrochloric Acid SCHEMBL19711967 0.85 USP7 (0.39) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL20781347 0.85 USP7 (0.41) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL19711966 0.85 USP7 (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22519208 0.85 NPC1 (0.53) PTGS1PTGS2MAPTKDM4EKMT2A
SCHEMBL31312510 0.85 PTGS1 (0.46) PTGS1PTGS2NPSR1CACNA1BAPBA1
SCHEMBL18737696 0.84 PTGS1 (0.42) PTGS1PTGS2KDM4ENPC1RAB9A

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 PTGS1 3302/4885PTGS2 3683/4885NPSR1 127/4885
US-10882869-B2 Condensed heterocyclic compounds and pesticides CNPY3, CNPY2, CHRM1 PTGS1 1377/4885PTGS2 1473/4885NPSR1 267/4885
US-20210017194-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 PTGS1 3302/4885PTGS2 3683/4885NPSR1 127/4885
US-10464950-B2 Condensed heterocyclic compounds and pesticides HDAC3, CHRM3, NR1D2 PTGS1 3302/4885PTGS2 3683/4885NPSR1 127/4885

“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.