SCHEMBL1055281

SCHEMBL1055281

NNC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.56
HTT P42858 2/20 0.49
POLB P06746 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SMYD3 Q9H7B4 1/20 0.46
CASP6 P55212 2/20 0.46
HDAC3 O15379 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MEN1 O00255 1/20 0.45
NAMPT P43490 1/20 0.45
MAPT P10636 1/20 0.45

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
Bicarbonate SCHEMBL8526689 0.97 HDAC6 (0.54) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1055278 0.87 HDAC6 (0.74) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1608962 0.85 HDAC6 (0.77) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1299107 0.84 HDAC6 (0.56) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL29424777 0.84 HDAC6 (0.56) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL2355361 0.83 HTT (0.55) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL1534628 0.83 HTT (0.52) HDAC6HTTPOLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2348443 0.83 HTT (0.55) HDAC6HTTPOLBKMT2ASMYD3
Hydrochloric Acid SCHEMBL17802639 0.83 HDAC6 (0.55) HDAC6HTTPOLBKMT2ASMN1; SMN2
SCHEMBL2351821 0.82 HTT (0.57) HDAC6HTTPOLBKMT2ACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107151220-B Phenol compound containing benzyloxy phenyl, preparation method and application thereof 中国医学科学院药物研究所 2021-07-20 CN disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 EP disclosed
CN-107151220-A Phenolic compound, preparation method and the usage containing benzyloxy-phenyl 中国医学科学院药物研究所 2017-09-12 CN disclosed
CN-107108554-A It is used for the phenyl amino benzimidazole of 1 cyclohexyl 2 for treating tumour as MIDH1 inhibitor 拜耳医药股份有限公司 2017-08-29 CN disclosed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 WO disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 WO disclosed
US-7875624-B2 administering a cancer patient 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one in the treatment of disorders relating to cell adhesion and metastatic processes; for monitoring the effects of drug by measuring the levels of ICAM, VCAM, or E-selectin in the patient NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-01-25 US disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 US disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 US disclosed
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors CHIRON CORPORATION 2005-09-22 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 (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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS HDAC6 2588/4885HTT 1694/4885POLB 1661/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 HDAC6 609/4885HTT 3904/4885POLB 3442/4885
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 HDAC6 7/4885HTT 567/4885POLB 3420/4885
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors KDR, FLT4, FLT1 HDAC6 1510/4885HTT 3365/4885POLB 2365/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 HDAC6 7/4885HTT 567/4885POLB 3420/4885

“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.