SCHEMBL482084

SCHEMBL482084

C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
HTT P42858 2/20 0.59
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
HTR6 P50406 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSR P00390 1/20 0.43
TXNRD1 Q16881 1/20 0.43
PRKCQ Q04759 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 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
SCHEMBL30154421 1.00 MAPT (0.63) MAPTHTTALDH1A1GAACRHBP
SCHEMBL18319457 1.00 MAPT (0.63) MAPTHTTALDH1A1GAACRHBP
SCHEMBL481628 1.00 MAPT (0.63) MAPTHTTALDH1A1GAACRHBP
SCHEMBL30154407 1.00 MAPT (0.63) MAPTHTTALDH1A1GAACRHBP
SCHEMBL28946187 0.95 MAPT (0.58) MAPTHTTALDH1A1GAACRHBP
SCHEMBL28946184 0.95 MAPT (0.58) MAPTHTTALDH1A1GAACRHBP
SCHEMBL2569974 0.87 MAPT (0.57) MAPTHTTALDH1A1GAACRHBP
SCHEMBL2570749 0.87 MAPT (0.57) MAPTHTTALDH1A1GAACRHBP
SCHEMBL2569972 0.87 MAPT (0.57) MAPTHTTALDH1A1GAACRHBP
SCHEMBL12898416 0.86 MAPT (0.54) MAPTHTTALDH1A1GAACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970633-B Pyridine sulfone and derivative, preparation method and application thereof 湖南化工研究院有限公司 2022-12-27 CN disclosed
US-9926313-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-03-27 US disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-20160304513-A1 Imidazopyridine Derivatives As Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2016-10-20 US disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (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-20160304513-A1 Imidazopyridine Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 MAPT 2285/4885HTT 2963/4885ALDH1A1 379/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAPT 3460/4885HTT 2334/4885ALDH1A1 2178/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MAPT 3782/4885HTT 2270/4885ALDH1A1 1934/4885

“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.