SCHEMBL3070352

SCHEMBL3070352

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(-c3noc(C)n3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
TP53 P04637 1/20 0.33
BRD4 O60885 4/20 0.33
CREBBP Q92793 4/20 0.33
SCARB1 Q8WTV0 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL3060646 0.88 ALOX5AP (0.36) ALOX5APTP53BRD4CREBBP
SCHEMBL3061511 0.85 ALOX5AP (0.36) ALOX5APTP53BRD4CREBBPSCARB1
SCHEMBL3064978 0.83 MAPT (0.37) ALOX5APTP53BRD4CREBBPRAB9A
SCHEMBL3069881 0.82 ADORA2B (0.38) L3MBTL1METHDAC1HDAC6HDAC8
SCHEMBL3068007 0.81 L3MBTL1 (0.39) ALOX5APL3MBTL1METHDAC1HDAC6
SCHEMBL14368629 0.81 ALOX5AP (0.37) ALOX5APTP53BRD4CREBBPRAB9A
SCHEMBL3065708 0.81 CNR2 (0.40) ALOX5APTP53RAB9AKMT2A
SCHEMBL3060208 0.80 PTGER4 (0.35) ALOX5APTP53
SCHEMBL3067526 0.79 MEN1 (0.38) HDAC1HDAC6HDAC8TP53RAB9A
SCHEMBL3054960 0.79 PTGER4 (0.39) RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US 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-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 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-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-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 ALOX5AP 3937/4885L3MBTL1 4440/4885MET 2437/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 ALOX5AP 3937/4885L3MBTL1 4440/4885MET 2437/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 ALOX5AP 3937/4885L3MBTL1 4440/4885MET 2437/4885

“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.