SCHEMBL6895313

SCHEMBL6895313

CC(C)Cc1nc(-c2ccc(-c3cc(N)ccn3)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.51
SCN9A Q15858 2/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
LTA4H P09960 5/20 0.37
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1283673 0.89 AGER (0.57) AGERKCNH2LTA4HMAPTCYP2D6
SCHEMBL1282765 0.83 AGER (0.60) AGERKCNH2LTA4HMAPTCYP2D6
SCHEMBL1283582 0.83 AGER (0.72) AGERLTA4HCYP2D6CYP2C9
SCHEMBL2484084 0.80 AGER (0.50) AGERSCN9AMAPTL3MBTL1NPC1
SCHEMBL1283049 0.80 AGER (0.52) AGERSCN9AKCNH2SCN5A
SCHEMBL1283530 0.78 AGER (0.52) AGERMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1283836 0.77 AGER (0.78) AGER
SCHEMBL1283498 0.77 AGER (0.55) AGERMAPTCYP2D6CYP2C9NPC1
SCHEMBL1284194 0.77 AGER (0.53) AGERMAPTNPC1LMNAMAPK1
SCHEMBL1283344 0.77 AGER (0.55) AGERMAPTCYP2D6CYP2C9NPC1

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-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 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-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885SCN9A 3876/4885KCNH2 4079/4885

“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.