SCHEMBL61678

SCHEMBL61678

Cc1ccc([N+](=O)[O-])c(C)c1Br

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AHR P35869 1/20 0.41
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8330662 0.85 CYP1A2 (0.52) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL3737638 0.83 CYP1A2 (0.60) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL8762158 0.83 CYP1A2 (0.55) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL3192674 0.80 TSHR (0.65) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL1993159 0.80 CYP1A2 (0.52) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL29507015 0.80 CYP1A2 (0.52) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL5594691 0.80 GPR35 (0.50) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL22833410 0.80 CYP1A2 (0.52) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL18589140 0.80 ALDH1A1 (0.49) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL9719281 0.79 TDP1 (0.71) CYP1A2TDP1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024158872-A1 1,3-INDOLE-PROPANAMIDE INHIBITORS OF SARS-COV-2 PLPRO/NSP3 AND DERIVATIVES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2024-08-02 WO disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-112321510-A Preparation method of 4-bromo-5-methyl-1H-indazole 无锡双启科技有限公司 2021-02-05 CN disclosed
CN-104169277-B Aurora kinase and flt3 kinase modulators 赛勒姆公司 2016-10-12 CN disclosed
US-20160009735-A1 Glucokinase Activators TAKEDA PHARMACEUTICAL (US) 2016-01-14 US disclosed
EP-2812328-B1 AURORA AND FLT3 KINASES MODULATORS SAREUM LTD (GB) 2015-11-18 EP disclosed
US-9139598-B2 Glucokinase activators TAKEDA CALIFORNIA, INC. (US) 2015-09-22 US disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 US disclosed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
US-4060626-A Indole-carboxylic carbon compounds and pharmaceutical compositions containing them BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-11-29 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 (6 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 CYP1A2 996/4885TDP1 4028/4885TSHR 207/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP1A2 4560/4885TDP1 4534/4885TSHR 1755/4885
US-20160009735-A1 Glucokinase Activators GCK, GCKR, GALK1 CYP1A2 1638/4885TDP1 2843/4885TSHR 3402/4885
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 CYP1A2 3693/4885TDP1 3878/4885TSHR 1741/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 CYP1A2 975/4885TDP1 4185/4885TSHR 198/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 CYP1A2 735/4885TDP1 4048/4885TSHR 323/4885

“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.