SCHEMBL3524973

SCHEMBL3524973

Cc1cccc(C(C#N)c2cccc(C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.36
GRM5 P41594 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL11629872 0.88 GRM5 (0.46) L3MBTL1HTTRECQLALDH1A1GAA
SCHEMBL11631991 0.87 L3MBTL1 (0.51) L3MBTL1HTTRECQLALDH1A1GAA
SCHEMBL5655555 0.83 L3MBTL1 (0.51) L3MBTL1HTTRECQLALDH1A1GAA
SCHEMBL11814736 0.77 HTT (0.39) L3MBTL1HTTRECQLCCR1CCR8
SCHEMBL11821663 0.76 RECQL (0.38) L3MBTL1HTTRECQLCCR1CCR8
SCHEMBL954513 0.75 CCR1 (0.52) HTTRECQLCCR1CCR8NOS3
SCHEMBL16545967 0.74 HTT (0.37) L3MBTL1HTTRECQLCCR1CCR8
SCHEMBL102150 0.73 CCR1 (0.50) HTTRECQLCCR1CCR8NOS3
Acetonitrile SCHEMBL1327931 0.72 CCR1 (0.55) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL21240439 0.72 HTT (0.38) HTTRECQLCCR1CCR8NOS3

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-7709533-B2 Imines as ion channel modulators ICAGEN, INC. (US) 2010-05-04 US disclosed
EP-1861356-A1 IMINES AS ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-12-05 EP disclosed
US-20060178346-A1 Imines as ion channel modulators ICAGEN, INC. (US) 2006-08-10 US disclosed
WO-2006084031-A1 IMINES AS ION CHANNEL MODULATORS ICAGEN, INC. (US) 2006-08-10 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-20060178346-A1 Imines as ion channel modulators KCNN1, KCNN3, KCNN2 L3MBTL1 3514/4885HTT 322/4885RECQL 308/4885

“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.