SCHEMBL2484847

SCHEMBL2484847

COC(=O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.57
PTGS2 P35354 1/20 0.56
EGFR P00533 1/20 0.56
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
ERN1 O75460 1/20 0.50
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4726931 0.91 VCAM1 (0.59) VCAM1PTGS2EGFRALDH1A1MAPT
SCHEMBL29708208 0.91 VCAM1 (0.59) VCAM1PTGS2EGFRALDH1A1MAPT
SCHEMBL17197998 0.90 VCAM1 (0.61) VCAM1ALDH1A1MAPTHPGDKDM4E
SCHEMBL30863327 0.88 VCAM1 (0.66) VCAM1ALDH1A1MAPTHPGDKDM4E
SCHEMBL12181970 0.86 POLB (0.55) VCAM1ALDH1A1MAPTHPGDPOLB
SCHEMBL19010023 0.84 ERN1 (0.61) VCAM1PTGS2EGFRMAPTMEN1
SCHEMBL8441836 0.84 MAPT (0.59) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8070346 0.83 PDGFRB (0.55) VCAM1PTGS2EGFRALDH1A1MAPT
SCHEMBL6405571 0.83 VCAM1 (0.54) VCAM1ALDH1A1MAPTHPGDMEN1
SCHEMBL2773008 0.83 VCAM1 (0.54) VCAM1ALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118401507-A Inhibitors targeting ubiquitin-specific protease 7 (USP 7) 丹娜法伯癌症研究院 2024-07-26 CN disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (4 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E VCAM1 1246/4885PTGS2 1856/4885EGFR 1909/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 VCAM1 1503/4885PTGS2 2312/4885EGFR 2701/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 VCAM1 1503/4885PTGS2 2312/4885EGFR 2701/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B VCAM1 2974/4885PTGS2 506/4885EGFR 2579/4885

“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.