SCHEMBL16612482

SCHEMBL16612482

CCSc1ncccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE10A Q9Y233 2/20 0.36
LMNA P02545 1/20 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
GRM2 Q14416 1/20 0.35
PDE2A O00408 1/20 0.35
MET P08581 4/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL16803706 0.85 AKT1 (0.44) POLBKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL16612304 0.85 POLB (0.48) POLBKDM4EALDH1A1LMNAGRM2
SCHEMBL15411967 0.85 POLB (0.49) POLBKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL16613190 0.84 POLB (0.48) POLBGRIN1GRIN2B
SCHEMBL16611998 0.84 POLB (0.53) POLBPDE10AGRIN1GRIN2B
SCHEMBL14676724 0.83 POLB (0.48) POLBKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL29431603 0.83 POLB (0.48) POLBKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL20708853 0.82 POLB (0.45) POLBKDM4EALDH1A1PDE10AHDAC1
SCHEMBL15412037 0.81 POLB (0.46) POLBALDH1A1SMN1; SMN2PDE10ALMNA
SCHEMBL16611767 0.81 KDM4E (0.44) POLBKDM4EALDH1A1SMN1; SMN2PDE10A

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 9 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
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 4183/4885KDM4E 3966/4885ALDH1A1 2552/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 POLB 3690/4885KDM4E 3834/4885ALDH1A1 2594/4885

“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.