SCHEMBL16612300

SCHEMBL16612300

CC[S+]([O-])c1ncccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ MET P08581 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ AKT1 P31749 2/20 0.32
▸ AKT2 P31751 2/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL15412786 0.86 POLB (0.43) POLBPDE10APDE2AKDM4EGRIN1
SCHEMBL16803698 0.86 AKT1 (0.43) PDE10AKDM4EALDH1A1MAPTAKT1
SCHEMBL16612441 0.85 POLB (0.44) POLBALDH1A1RAB9AGRM2
SCHEMBL14684622 0.84 POLB (0.42) POLBPDE10AHDAC1HDAC6HDAC5
SCHEMBL29431642 0.84 POLB (0.42) POLBPDE10AHDAC1HDAC6HDAC5
SCHEMBL15412515 0.83 POLB (0.41) POLBPDE10APTGS2PDE2AKDM4E
SCHEMBL116987 0.82 POLB (0.42) POLBPDE10APTGS2PDE2AGRIN1
SCHEMBL16611913 0.82 POLB (0.42) POLBPDE10APTGS2PDE2AGRIN1
SCHEMBL17824437 0.82 POLB (0.42) POLBPDE10APTGS2KDM4EALDH1A1
SCHEMBL16622982 0.82 POLB (0.42) POLBPDE10APTGS2PDE2AGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857397-B1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-04-08 — — EP disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 — — US disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 — — US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 — — US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 — — US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 — — US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 — — US disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 — — 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 (2 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 POLB 4183/4885PDE10A 3525/4885HDAC1 809/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 POLB 3690/4885PDE10A 3869/4885HDAC1 671/4885

“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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