SCHEMBL1761767

SCHEMBL1761767

CC(=O)c1ccc2[nH]c(-c3cccc(-c4cccnc4O)c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HPGD P15428 4/20 0.43
▸ TP53 P04637 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ COMT P21964 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL1761968 0.86 COMT (0.46) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14531806 0.81 DYRK1A (0.42) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2649652 0.78 HDAC6 (0.61) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15223745 0.78 KDM4E (0.60) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1509518 0.77 KDM4E (0.46) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6450741 0.76 NPBWR1 (0.60) KDM4EKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL14601528 0.75 NPBWR1 (0.48) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15223747 0.75 NPBWR1 (0.53) KDM4EKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL31533522 0.74 KDM4E (0.72) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17672255 0.72 KDM4E (0.77) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2

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 KDM4E 2034/4885KMT2A 1828/4885MEN1 4310/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 KDM4E 2034/4885KMT2A 1828/4885MEN1 4310/4885

“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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