SCHEMBL3546237

SCHEMBL3546237

c1ccc2c(c1)CC(Nc1nc3ccccc3[nH]1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 2/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KCNN1 Q92952 1/20 0.48
▸ KCNN2 Q9H2S1 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL28406604 0.85 HDAC6 (0.57) KCNN3HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL27898220 0.82 RIPK1 (0.62) KCNN3HDAC6SMN1; SMN2NPC1LMNA
SCHEMBL7181892 0.81 SMN1; SMN2 (0.60) KCNN3HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL21432292 0.81 HDAC6 (0.50) KCNN3HDAC6SMN1; SMN2NPC1LMNA
SCHEMBL14155576 0.81 RIPK1 (0.65) KCNN3HDAC6SMN1; SMN2NPC1LMNA
SCHEMBL29502646 0.81 HDAC6 (0.50) KCNN3HDAC6SMN1; SMN2NPC1LMNA
SCHEMBL7699200 0.79 SMN1; SMN2 (0.51) KCNN3HDAC6SMN1; SMN2NPC1LMNA
SCHEMBL382481 0.79 JAK1 (0.54) KCNN3HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL8560605 0.79 KCNH2 (0.61) KCNN3HDAC6SMN1; SMN2KCNN1KCNN2
Water SCHEMBL8566156 0.79 KCNH2 (0.61) KCNN3HDAC6SMN1; SMN2KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 — — US claimed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 — — EP claimed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 — — US claimed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 — — US disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 — — EP disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 — — US disclosed
EP-1776348-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-25 — — EP disclosed
WO-2006013210-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-02-09 — — 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-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 KCNN3 3/4885HDAC6 657/4885SMN1; SMN2 2965/4885

“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.

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