SCHEMBL13338165

SCHEMBL13338165

CN(c1ccncc1)c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.45
CHKA P35790 1/20 0.45
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
RAF1 P04049 1/20 0.35
F10 P00742 1/20 0.34
PRSS1 P07477 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
SCHEMBL13338144 0.85 ALDH1A1 (0.36) CHKAALOX15RAB9AKCNH2MCHR1
SCHEMBL27771981 0.84 CHRM5 (0.41) CHRM5CHKAMAPTSMN1; SMN2KDM4C
SCHEMBL13338137 0.82 APP (0.41) CHKARAB9AKCNH2MCHR1SLC6A2
SCHEMBL16340645 0.80 PDK2 (0.44) CHKASMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL5998627 0.79 CHRM5 (0.52) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL3409151 0.78 CHRM5 (0.68) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL13338174 0.77 CHKA (0.45) CHRM5CHKACYP17A1CYP11B1CYP11B2
SCHEMBL6000218 0.76 ABCG2 (0.46) CHRM5CHKACYP17A1CYP11B1CYP11B2
SCHEMBL2222390 0.75 CHKA (0.52) CHRM5CHKAMAPTSMN1; SMN2KDM4C
SCHEMBL17508150 0.74 CYP2A6 (0.52) SMN1; SMN2MEN1RAB9AKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680336-B2 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2014-03-25 US disclosed
US-8680336-B2 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2014-03-25 US disclosed
US-20100126563-A1 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2010-05-27 US disclosed
US-20100126563-A1 Dyes for dye sensitized solar cell LG DISPLAY CO., LTD. (KR) 2010-05-27 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-20100126563-A1 Dyes for dye sensitized solar cell TYR, XPA, PAH CHRM5 2566/4885CHKA 2946/4885CYP17A1 1583/4885

“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.