SCHEMBL1761968

SCHEMBL1761968

COc1ncccc1-c1cccc(-c2nc3cc(C(C)=O)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ PDE10A Q9Y233 6/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL1761767 0.86 KDM4E (0.45) COMTHDAC3HDAC1HDAC2HDAC8
SCHEMBL14091679 0.79 F2 (0.48) LOXL2PDE10AHDAC3HDAC1HDAC2
SCHEMBL4702856 0.79 DHODH (0.46) LOXL2PDE10AHDAC3HDAC1HDAC2
SCHEMBL14531473 0.79 TLR8 (0.42) COMTLOXL2PDE10AHDAC3HDAC1
SCHEMBL12834282 0.79 HPSE (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12834513 0.79 LOXL2 (0.47) LOXL2PDE10AHDAC3HDAC1HDAC2
SCHEMBL14531480 0.78 KLKB1 (0.42) COMTLOXL2PDE10AHDAC3HDAC1
SCHEMBL4963557 0.78 PDE10A (0.47) PDE10AHDAC3HDAC1HDAC2HDAC8
SCHEMBL14531903 0.77 TRPV1 (0.44) COMTHDAC6
SCHEMBL14531886 0.77 HDAC6 (0.40) COMTLOXL2PDE10AHDAC3HDAC1

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-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 — — US claimed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 — — EP claimed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 — — US claimed
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 — — US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 — — US disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 — — EP disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 — — US disclosed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 — — US 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 (2 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-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 COMT 396/4885LOXL2 2856/4885PDE10A 650/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 COMT 396/4885LOXL2 2856/4885PDE10A 650/4885

“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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