SCHEMBL16746509

SCHEMBL16746509

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
GPR3 P46089 1/20 0.33
CHRM5 P08912 1/20 0.32
CYP1A2 P05177 3/20 0.32
PDE2A O00408 5/20 0.32
PDE10A Q9Y233 4/20 0.32
CRHR1 P34998 2/20 0.32
PDE3A Q14432 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
MCHR1 Q99705 1/20 0.31
P2RY1 P47900 1/20 0.31
POLB P06746 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL15616836 0.90 POLB (0.41) BRD4CYP1A2PDE2APDE10ACRHR1
SCHEMBL15426412 0.85 POLB (0.36) BRD4PDE2APDE10ACRHR1POLB
SCHEMBL15426383 0.83 GRIN1 (0.33) BRD4PDE10AGRIN1GRIN2B
SCHEMBL15426454 0.81 AKT1 (0.32) BRD4PDE10A
SCHEMBL15426389 0.81 TNKS (0.35) BRD4CYP1A2PDE2APDE10ACRHR1
SCHEMBL15426460 0.81 AKT1 (0.31) BRD4
SCHEMBL16746511 0.80 POLB (0.36) GPR3CHRM5CYP1A2PDE2APDE10A
SCHEMBL15412909 0.80 BRD4 (0.38) BRD4CYP1A2PDE2APDE10A
SCHEMBL16746510 0.79 DDR1 (0.39) GPR3CHRM5PDE2APDE10APDE3A
SCHEMBL10249039 0.78 PDE10A (0.35) BRD4PDE10APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR BRD4 1846/4885GPR3 4295/4885CHRM5 4545/4885

“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.