SCHEMBL286660

SCHEMBL286660

Cc1cnc(CCl)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
AGBL2 Q5U5Z8 2/20 0.35
CYP1A2 P05177 1/20 0.33
CXCR4 P61073 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL30164264 1.00 NOS3 (0.46) NOS3NOS1NOS2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL1193387 0.98 NOS3 (0.45) NOS3NOS1NOS2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL29861810 0.98 NOS3 (0.45) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL873234 0.79 NOS3 (0.48) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL29384905 0.79 NOS3 (0.48) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL2112705 0.78 S1PR1 (0.39) AGBL2L3MBTL1KDM4EMAPK1KMT2A
SCHEMBL16039165 0.78 CCR1 (0.34) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL29636159 0.78 CCR1 (0.34) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL13196217 0.77 NOS3 (0.46) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL17248011 0.77 NOS3 (0.46) NOS3NOS1NOS2HSP90AA1HSP90AB1

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP claimed
CN-118638100-A CXCR4/HDAC dual inhibitor and preparation and application thereof 杭州师范大学 2024-09-13 CN disclosed
CN-117720518-B Benzimidazole compound, preparation method thereof, pharmaceutical composition and application 江苏海洋大学 2024-08-13 CN disclosed
CN-117720518-A Benzimidazole compound, preparation method thereof, pharmaceutical composition and application 江苏海洋大学 2024-03-19 CN disclosed
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2018-12-27 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
WO-2007056220-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
WO-2007056228-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (GB) 2007-05-18 WO disclosed
WO-2007056021-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN disclosed
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands NEUROGEN CORPORATION 2003-11-27 US disclosed
EP-0254588-B1 Imidazo[4,5-b] pyridine compounds, process for preparing same and pharmaceutical compositions containing same TOKYO TANABE COMPANY LIMITED (JP) 1992-01-15 EP disclosed
US-4808596-A STORAGE STABLE, ANTIULCER AGENTS TOKYO TANABE COMPANY, LTD. (JP) 1989-02-28 US disclosed
EP-0254588-A1 Imidazo[4,5-b] pyridine compounds, process for preparing same and pharmaceutical compositions containing same TOKYO TANABE COMPANY LIMITED (JP) 1988-01-27 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 (6 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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R NOS3 1389/4885NOS1 2729/4885NOS2 2918/4885
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 NOS3 1178/4885NOS1 710/4885NOS2 1002/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R NOS3 1389/4885NOS1 2729/4885NOS2 2918/4885
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands GABRP, GABBR1, GABRA1 NOS3 3411/4885NOS1 3792/4885NOS2 3753/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R NOS3 1389/4885NOS1 2729/4885NOS2 2918/4885
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 NOS3 144/4885NOS1 181/4885NOS2 194/4885

“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.