SCHEMBL2977111

SCHEMBL2977111

Nc1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.60
MAPT P10636 11/20 0.60
KDM4E B2RXH2 9/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
HPGD P15428 7/20 0.60
TP53 P04637 4/20 0.60
PKM P14618 2/20 0.60
METAP2 P50579 2/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 9/20 0.58
GLA P06280 5/20 0.58
GFER P55789 3/20 0.58
HTT P42858 3/20 0.58
RCE1 Q9Y256 1/20 0.58
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55

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
SCHEMBL13973762 0.88 GAA (0.73) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13203493 0.83 NPC1 (0.64) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL2974133 0.82 METAP2 (0.80) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13203396 0.82 NPC1 (0.60) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13221240 0.81 GAA (0.77) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13220953 0.81 IDO1 (0.47) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL11284879 0.81 GAA (0.73) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13203529 0.81 NPC1 (0.61) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13203487 0.80 NPC1 (0.63) GAAMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL2977248 0.80 TCF4 (0.46) GAAMAPTKDM4ESMN1; SMN2NPC1

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-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 US disclosed
US-20050038067-A1 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2005-02-17 US disclosed
WO-2005002503-A2 ASYMMETRIC BENZIMIDAZOLES AND RELATED COMPOUNDS AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-01-13 WO 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-20050038067-A1 Asymmetric benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNJ1, KCNJ11 GAA 2448/4885MAPT 3651/4885KDM4E 422/4885

“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.