SCHEMBL3316475

SCHEMBL3316475

[CH2]c1ccc(Cn2cccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BRD4 O60885 1/20 0.40
CYP19A1 P11511 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38

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
SCHEMBL22181781 0.84 CA12 (0.71) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7627846 0.82 MAPT (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL301503 0.82 GAA (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL17221602 0.82 MAPT (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL3397894 0.82 GAA (0.67) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL324202 0.82 MAPT (0.61) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL3521224 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL554803 0.81 GAA (0.60) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL12321326 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL1773897 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US claimed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US claimed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed

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-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885GAA 3282/4885HDAC1 329/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885GAA 3282/4885HDAC1 329/4885

“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.