SCHEMBL3055972

SCHEMBL3055972

CCn1c(Cn2ccnc2-c2cccc([N+](=O)[O-])c2)nc2cc(C(N)=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 3/20 0.45
CFTR P13569 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
LMNA P02545 1/20 0.42
PTGER4 P35408 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GAA P10253 1/20 0.40
PABPC1 P11940 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3060192 0.86 CFTR (0.46) THRBKMT2AMEN1MAPTCFTR
SCHEMBL3066097 0.86 KMT2A (0.50) THRBKMT2AMEN1MAPTPTGER4
SCHEMBL3060755 0.86 KMT2A (0.50) THRBKMT2AMEN1MAPTPTGER4
SCHEMBL3073520 0.84 CFTR (0.44) THRBKMT2AMEN1MAPTCFTR
SCHEMBL3073283 0.83 KMT2A (0.49) THRBKMT2AMEN1MAPTCFTR
SCHEMBL3070403 0.83 KMT2A (0.49) THRBKMT2AMEN1MAPTCFTR
SCHEMBL3059306 0.78 ALDH1A1 (0.45) THRBKMT2AMEN1MAPTPTGER4
SCHEMBL3060152 0.78 THRB (0.52) THRBKMT2AMEN1MAPTPTGER4
SCHEMBL3064366 0.78 KMT2A (0.43) THRBKMT2AMEN1MAPTLMNA
SCHEMBL3068455 0.78 THRB (0.52) THRBKMT2AMEN1MAPTPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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 (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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 THRB 1628/4885KMT2A 1769/4885MEN1 3395/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 THRB 1628/4885KMT2A 1769/4885MEN1 3395/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 THRB 1628/4885KMT2A 1769/4885MEN1 3395/4885

“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.