SCHEMBL1798322

SCHEMBL1798322

Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP6 P55212 1/20 0.40
CYP1A2 P05177 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HCAR3 P49019 2/20 0.38

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
SCHEMBL2533704 0.81 TPMT (0.40) TSHRMEN1KMT2APOLBMAPT
SCHEMBL29155702 0.77 CTSB (0.51) TSHRPOLBMAPTTDP1L3MBTL1
SCHEMBL1245681 0.72 TSHR (0.51) TSHRCYP2C9POLBMAPTTDP1
SCHEMBL11758012 0.72 TDP1 (0.55) TSHRCYP2C9KMT2ATDP1L3MBTL1
SCHEMBL503451 0.72 TSHR (0.65) TSHRMEN1KMT2APOLBMAPT
SCHEMBL1795934 0.72 SMN1; SMN2 (0.41) MEN1KMT2AMAPTGPR35MAPK1
SCHEMBL8832668 0.71 TSHR (0.46) TSHRPOLBTDP1L3MBTL1CASP6
SCHEMBL8832665 0.71 TSHR (0.46) TSHRPOLBTDP1L3MBTL1CASP6
SCHEMBL22866606 0.71 ALDH1A1 (0.48) MEN1CYP2C9KMT2APOLBMAPT
SCHEMBL28113410 0.70 TSHR (0.41) TSHRMAPTTDP1L3MBTL1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951824-B2 4-aryl-pyridine-2-carboxyamide derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-31 US disclosed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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 (1 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 TSHR 283/4885MEN1 3576/4885CYP2C9 2802/4885

“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.