SCHEMBL4460052

SCHEMBL4460052

CCCNc1c[c]ccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
HTT P42858 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
TRPA1 O75762 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
EPHX1 P07099 3/20 0.31
KCNH3 Q9ULD8 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL4462101 0.89 ALDH1A1 (0.42) MAPTALDH1A1CYP1A2HTTCYP3A4
SCHEMBL4221988 0.87 KCNH3 (0.45) MAPTALDH1A1HTTEPHX1KCNH3
SCHEMBL9593790 0.85 EPHX1 (0.44) MAPTALDH1A1HTTEPHX1KCNH3
SCHEMBL468076 0.83
SCHEMBL17134061 0.83
SCHEMBL4899544 0.80 CHEK1 (0.41) KMT2AIDO1
SCHEMBL7352532 0.80 RECQL (0.41) MAPTALDH1A1CYP1A2HTTCYP3A4
SCHEMBL16861366 0.80 HDAC3 (0.36) MAPTALDH1A1CYP1A2HTTCYP3A4
SCHEMBL3707096 0.79 CYP2C19 (0.41) ALDH1A1CYP2C19KMT2AGAA
SCHEMBL1244448 0.79 KCNH3 (0.45) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-2927218-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-07 EP disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
US-3941836-A SOLUBILIZERS, PLASTICIZER, UV ABSORBER THE LUBRIZOL CORPORATION (US) 1976-03-02 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-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG MAPT 859/4885ALDH1A1 2467/4885CYP1A2 175/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 MAPT 3805/4885ALDH1A1 3212/4885CYP1A2 352/4885

“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.