SCHEMBL5015652

SCHEMBL5015652

CC(C)(C)c1ccc2[nH]c(Cl)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.45
KCNH2 Q12809 1/20 0.45
KIF11 P52732 3/20 0.42
HDAC6 Q9UBN7 1/20 0.41
METAP2 P50579 1/20 0.39
FGFR1 P11362 2/20 0.37
FLT3 P36888 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
PDPK1 O15530 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL6031395 0.86 MAPT (0.36) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL2418844 0.86 SCN10A (0.61) SCN10AKCNH2METAP2FGFR1FLT3
SCHEMBL9303902 0.82 SHBG (0.39) SCN10AKCNH2HDAC6
SCHEMBL666767 0.82 NPBWR1 (0.43) KCNH2KIF11METAP2CHUKDYRK1A
SCHEMBL4393880 0.80 MAPT (0.50) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL846855 0.80 SCN10A (0.58) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL13619366 0.79 FABP6 (0.50) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL18931745 0.79 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL4393877 0.79 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL16204637 0.76 CSNK1D (0.45) SCN10AKCNH2KIF11HDAC6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389423-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-11-30 US disclosed
US-20230389423-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-11-30 US disclosed
WO-2022079068-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-21 WO disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US disclosed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO 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 (5 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-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF HDAC1, HDAC11, HDAC6 SCN10A 2097/4885KCNH2 3659/4885KIF11 1753/4885
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI SCN10A 6/4885KCNH2 1246/4885KIF11 4093/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT SCN10A 3785/4885KCNH2 4663/4885KIF11 3527/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT SCN10A 3785/4885KCNH2 4663/4885KIF11 3527/4885
US-20230389423-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, VDAC2, KCNC1 SCN10A 1436/4885KCNH2 10/4885KIF11 4041/4885

“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.