SCHEMBL448079

SCHEMBL448079

N#Cc1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
SGMS2 Q8NHU3 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
XDH P47989 1/20 0.51
ALDH1A1 P00352 2/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
PGGT1B P53609 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.49
LIPE Q05469 1/20 0.49
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL8874712 0.86 SGMS2 (0.52) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL6831100 0.86 MAOB (0.49) MAOBSGMS2MAPK1XDHALDH1A1
SCHEMBL4452726 0.86 NPC1 (0.52) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL15602827 0.86 SGMS2 (0.52) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL30257271 0.86 SGMS2 (0.52) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL25079152 0.86 SGMS2 (0.52) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL8808187 0.86 ABCB1 (0.53) SGMS2XDHFNTAFNTBPGGT1B
SCHEMBL2657882 0.84 SGMS2 (0.51) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL3922233 0.84 SGMS2 (0.51) MAOBSGMS2L3MBTL1MAPTMAPK1
SCHEMBL1749528 0.84 RXRA (0.62) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431983-B A kind of 2- benzyloxies benzonitrile class compound and preparation method thereof 信阳师范学院 2018-06-15 CN claimed
CN-106431983-A 2-benzyloxybenzonitrile compound and preparation method thereof 信阳师范学院 2017-02-22 CN claimed
EP-1483247-B1 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2009-06-24 EP claimed
US-7229993-B2 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-06-12 US claimed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
CN-1646500-A Aryl substituted pyrimidines and the use thereof EURO CELTIQUE SA (LU) 2005-07-27 CN claimed
EP-1483247-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2004-12-08 EP claimed
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof EURO-CELTIQUE S.A. 2003-12-25 US claimed
WO-2003076414-A2 ARYL SUBSTITUTED PYRIMIDINES AND THE USE THEREOF EURO-CELTIQUE S.A. (US) 2003-09-18 WO claimed
WO-2025224512-A1 NOVEL COMPOUND AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE 13 (HSD17B13) INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2025-10-30 WO disclosed
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
CN-113861069-B Preparation method of nitrile compound 陕西国际商贸学院 2023-06-16 CN disclosed
CN-116180112-A Method for electrochemical synthesis of aryl nitrile by using dialkyl aryl phosphate 河南大学 2023-05-30 CN disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0835254-A1 OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE SYNTHELABO (FR) 1998-04-15 EP disclosed
WO-1996038444-A1 OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTICAL USE SYNTHELABO (FR) 1996-12-05 WO disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 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 (3 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE MAOB 579/4885SGMS2 4391/4885L3MBTL1 4871/4885
US-20030236273-A1 Aryl substituted pyrimidines and the use thereof CACNA1S, CACNA1C, NCS1 MAOB 836/4885SGMS2 4660/4885L3MBTL1 223/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD MAOB 693/4885SGMS2 3006/4885L3MBTL1 3477/4885

“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.