SCHEMBL3381391

SCHEMBL3381391

Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 3/20 0.67
RAB9A P51151 4/20 0.59
KMT2A Q03164 3/20 0.59
HSP90AA1 P07900 2/20 0.59
CXCR5 P32302 1/20 0.59
APLNR P35414 1/20 0.59
CCR6 P51684 1/20 0.59
GFER P55789 1/20 0.59
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
KMO O15229 1/20 0.50
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 1/20 0.49
PTPN1 P18031 1/20 0.48
LMNA P02545 1/20 0.48
EDNRB P24530 1/20 0.48
EDNRA P25101 1/20 0.48

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
SCHEMBL30354936 1.00 ALDH1A1 (0.67) ALDH1A1KDM4ERAB9AKMT2AHSP90AA1
SCHEMBL25383206 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9AKMT2ACYP1A2
SCHEMBL30354821 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9AKMT2ACYP1A2
SCHEMBL29151235 0.86 NPC1 (0.67) ALDH1A1KDM4ERAB9AKMT2AGAA
SCHEMBL29151291 0.86 MEN1 (0.63) ALDH1A1KDM4ERAB9AKMT2ACYP1A2
SCHEMBL3486122 0.83 ALDH1A1 (0.82) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL31748788 0.83 ALDH1A1 (0.82) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL2177411 0.81 NPC1 (0.56) ALDH1A1KDM4ERAB9AKMT2AGAA
SCHEMBL7356089 0.80 CYP1A2 (0.58) ALDH1A1KDM4ERAB9AKMT2ACYP1A2
SCHEMBL30354905 0.80 KDM4E (0.51) ALDH1A1KDM4ERAB9AKMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 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 (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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 ALDH1A1 920/4885KDM4E 1794/4885RAB9A 2799/4885
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 ALDH1A1 1104/4885KDM4E 2383/4885RAB9A 1162/4885
US-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R ALDH1A1 1277/4885KDM4E 1967/4885RAB9A 1979/4885
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 ALDH1A1 1053/4885KDM4E 1109/4885RAB9A 2851/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR ALDH1A1 1755/4885KDM4E 1819/4885RAB9A 4390/4885

“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.