SCHEMBL7337702

SCHEMBL7337702

Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 1.00
TNF P01375 2/20 1.00
NOD2 Q9HC29 2/20 1.00
CXCL8 P10145 2/20 1.00
SOS1 Q07889 1/20 1.00
KMT2A Q03164 2/20 0.74
GALR3 O60755 1/20 0.68
NR2F2 P24468 1/20 0.68
RAB9A P51151 1/20 0.68
CSF1R P07333 1/20 0.65
TSHR P16473 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
HTT P42858 1/20 0.58
CXCR4 P61073 1/20 0.58
HIF1A Q16665 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58

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
SCHEMBL7165480 0.93 TNF (0.87) NOD1TNFNOD2CXCL8SOS1
SCHEMBL939417 0.88 TNF (0.79) NOD1TNFNOD2CXCL8SOS1
SCHEMBL9630558 0.86 TNF (0.75) NOD1TNFNOD2CXCL8SOS1
SCHEMBL4893740 0.85 KMT2A (1.00) NOD1TNFNOD2CXCL8SOS1
Hydrochloric Acid SCHEMBL11594488 0.84 TNF (0.73) NOD1TNFNOD2CXCL8SOS1
SCHEMBL7530572 0.84 TNF (0.72) NOD1TNFNOD2CXCL8SOS1
SCHEMBL11712432 0.84 NOD1 (0.72) NOD1TNFNOD2CXCL8SOS1
SCHEMBL4097969 0.83 NOD1 (0.71) NOD1TNFNOD2CXCL8SOS1
SCHEMBL14281041 0.83 KMT2A (0.80) NOD1TNFNOD2CXCL8SOS1
SCHEMBL7168102 0.82 KMT2A (0.71) NOD1TNFNOD2CXCL8SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545845-B1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH AS (DK) 1996-02-28 EP claimed
US-5314903-A Benzimidazole compounds useful as calcium channel blockers NEUROSEARCH A/S (DK) 1994-05-24 US claimed
EP-0545845-A1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH A/S (DK) 1993-06-09 EP claimed
EP-2319512-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels. NeuroSearch AS (DK) 2011-05-11 EP disclosed
US-20110034527-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2011-02-10 US disclosed
US-7842817-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-11-30 US disclosed
US-7842817-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-11-30 US disclosed
EP-1838306-B1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2010-11-17 EP disclosed
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2010-11-04 US disclosed
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS SOERENSEN ULRIK SVANE 2010-11-04 US disclosed
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels NEURO SEARCH A/S (DK) 2008-08-21 US disclosed
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels NEURO SEARCH A/S (DK) 2008-08-21 US disclosed
EP-0545845-B1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5314903-A Benzimidazole compounds useful as calcium channel blockers NEUROSEARCH A/S (DK) 1994-05-24 US disclosed
EP-0545845-A1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH A/S (DK) 1993-06-09 EP 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 (3 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-20110034527-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN2, KCNN1, KCNN3 NOD1 964/4885TNF 4807/4885NOD2 784/4885
US-20080200529-A1 Novel 2-Amino Benzimidazole Derivatives and Their Use As Modulators Of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN1, KCNN3 NOD1 964/4885TNF 4807/4885NOD2 784/4885
US-20100280087-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS KCNN2, KCNN1, KCNN3 NOD1 964/4885TNF 4807/4885NOD2 784/4885

“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.