SCHEMBL15426412

SCHEMBL15426412

CC[S+]([O-])c1cc(C(F)(F)F)ccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ S1PR1 P21453 2/20 0.32
▸ GRIN1 Q05586 5/20 0.32
▸ GRIN2B Q13224 5/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AKT1 P31749 2/20 0.31
▸ AKT2 P31751 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL10280728 0.93 POLB (0.43) POLBS1PR1GRIN1GRIN2BPDE2A
SCHEMBL15426383 0.86 GRIN1 (0.33) GRIN1GRIN2BAKT1AKT2BRD4
SCHEMBL16746509 0.85 BRD4 (0.33) POLBGRIN1GRIN2BPDE2ABRD4
SCHEMBL10281047 0.84 POLB (0.42) POLBPDE2APDE10A
SCHEMBL15426389 0.84 TNKS (0.35) PDE2AKDM4EALDH1A1AKT1AKT2
SCHEMBL15426454 0.84 AKT1 (0.32) GAAMAPTAKT1AKT2BRD4
SCHEMBL10280733 0.84 POLB (0.41) POLBPDE2AALDH1A1
SCHEMBL10281057 0.84 POLB (0.41) POLBPDE2AALDH1A1MAPTHSD11B1
SCHEMBL15426460 0.83 AKT1 (0.31) AKT1AKT2BRD4
SCHEMBL15426448 0.83 PIK3CA (0.41) S1PR1KDM4ECNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278983-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-08 — — US disclosed
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 — — US disclosed
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-11 — — US disclosed
US-8853238-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-07 — — US disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 — — 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 (3 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 POLB 4715/4885S1PR1 3006/4885GRIN1 703/4885
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR POLB 4471/4885S1PR1 734/4885GRIN1 2794/4885
US-20140364444-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR4A1, NR2C2, NR0B1 POLB 4737/4885S1PR1 3091/4885GRIN1 721/4885

“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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