SCHEMBL355589

SCHEMBL355589

CN(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
ERN1 O75460 3/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCAR3 P49019 1/20 0.45
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
TSHR P16473 2/20 0.45
CASP6 P55212 1/20 0.45
CTSK P43235 1/20 0.43
TTR P02766 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL30477963 1.00 ALDH1A1 (0.52) ALDH1A1LMNAATMTDP1KMT2A
SCHEMBL3585691 0.87 LMNA (0.56) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL989106 0.85 ATM (0.46) ALDH1A1LMNAATMTDP1KMT2A
SCHEMBL1298401 0.83 HSP90AA1 (0.48) ALDH1A1LMNAATMTDP1HPGD
SCHEMBL382787 0.82 TSHR (0.68) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL29547015 0.82 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL1857955 0.82 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL6827373 0.82 HCAR3 (0.58) ALDH1A1LMNAHCAR3TSHRCASP6
SCHEMBL11248434 0.81 ATM (0.56) ALDH1A1ATMTDP1KMT2AMEN1
SCHEMBL21544194 0.81 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
EP-3914585-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-12-01 EP disclosed
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 US disclosed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 US disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 EP disclosed
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-12-01 US disclosed
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2005-11-10 US disclosed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 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 (8 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 ALDH1A1 1676/4885LMNA 4570/4885ATM 4655/4885
US-20050267118-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 ALDH1A1 2756/4885LMNA 389/4885ATM 1274/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 ALDH1A1 2068/4885LMNA 562/4885ATM 1565/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ALDH1A1 2421/4885LMNA 412/4885ATM 1449/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1806/4885LMNA 2052/4885ATM 3016/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885LMNA 1699/4885ATM 3677/4885
US-20050250815-A1 Inhibitors of fractor Xa and other serine proteases involved in the coagulation cascade F12, TFPI, F11 ALDH1A1 3666/4885LMNA 349/4885ATM 2705/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ALDH1A1 2421/4885LMNA 412/4885ATM 1449/4885

“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.