SCHEMBL2978472

SCHEMBL2978472

CN(C)c1ccc2nc(-c3ccccc3-c3nc(Br)c(Br)[nH]3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPBWR1 P48145 2/20 0.43
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2977718 0.80 AMY1A (0.56) TCF4CTNNB1NPC1ALDH1A1RAB9A
SCHEMBL2977248 0.80 TCF4 (0.46) TCF4CTNNB1NPC1ALDH1A1RAB9A
SCHEMBL13203479 0.76 TCF4 (0.48) TCF4CTNNB1NPC1ALDH1A1RAB9A
SCHEMBL13203561 0.74 PTGES (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL18025638 0.72 CBFB (0.68) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL13996322 0.68 ALDH1A1 (0.58) TCF4CTNNB1NPC1ALDH1A1RAB9A
SCHEMBL17711233 0.68 F2 (0.64) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL12287269 0.68 CBFB (0.61) TCF4CTNNB1NPC1RAB9ASMN1; SMN2
SCHEMBL8767834 0.67 TCF4 (0.78) TCF4CTNNB1NPC1ALDH1A1RAB9A
SCHEMBL13203468 0.67 IDO1 (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E

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 TCF4 1744/4885CTNNB1 2008/4885NPC1 709/4885

“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.