SCHEMBL425259

SCHEMBL425259

COc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
CYP3A4 P08684 2/20 0.62
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.57
MAPK1 P28482 2/20 0.57
SIRT6 Q8N6T7 1/20 0.53
ACHE P22303 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL317536 0.85 ALDH1A1 (0.66) TSHRCYP3A4ALDH1A1TDP1LMNA
SCHEMBL22925789 0.83 MEN1 (0.54) TSHRCYP3A4ALDH1A1TDP1LMNA
SCHEMBL11224598 0.82 CHEK1 (0.61) CYP3A4ALDH1A1TDP1LMNAMAPT
SCHEMBL26394161 0.82 ALDH1A1 (0.52) TSHRCYP3A4ALDH1A1LMNAMAPT
SCHEMBL1340850 0.82 L3MBTL1 (0.55) TSHRCYP3A4ALDH1A1TDP1LMNA
SCHEMBL10619771 0.81 ALDH1A1 (0.62) TSHRCYP3A4ALDH1A1LMNAMAPT
SCHEMBL18708433 0.81 ACHE (0.52) TSHRCYP3A4ALDH1A1LMNAMAPT
SCHEMBL4142866 0.81 ALDH1A1 (0.58) CYP3A4ALDH1A1TDP1LMNAMAPT
SCHEMBL30686627 0.81 ALDH1A1 (0.58) CYP3A4ALDH1A1TDP1LMNAMAPT
SCHEMBL8977874 0.81 HTT (0.68) TSHRALDH1A1TDP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
US-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-05-19 US disclosed
CN-109328187-B Novel compound with FGFR (FGFR) inhibitory activity as well as preparation and application thereof 中国科学院上海药物研究所 2022-04-26 CN disclosed
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2021-05-13 US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 EP disclosed
EP-3774734-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE Elex Biotech, Inc. (US) 2021-02-17 EP disclosed
CN-111936466-A Compounds for the treatment of cardiac arrhythmias and heart failure 埃利克斯生物技术公司 2020-11-13 CN disclosed
WO-2019191502-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2019-10-03 WO disclosed
EP-3486244-A1 NEW COMPOUND HAVING FGFR INHIBITORY ACTIVITY AND PREPARATION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-05-22 EP disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0385010-A1 N-alkyl-N-(Aminophenylsulfonyl)-aminoalkylphosphonic acids and salts CROMPTON & KNOWLES CORPORATION (US) 1990-09-05 EP disclosed
US-4851158-A N-alkyl-N-(aminophenylsulfonyl)-aminoalkylphosphonic acids CROMPTON & KNOWLES CORPORATION (US) 1989-07-25 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 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 (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-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS NR5A2, FGFR1, FGFR3 TSHR 219/4885CYP3A4 1104/4885ALDH1A1 2820/4885
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE RYR2, RYR1, CACNA1F TSHR 894/4885CYP3A4 912/4885ALDH1A1 2527/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F TSHR 894/4885CYP3A4 912/4885ALDH1A1 2527/4885

“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.