SCHEMBL3079331

SCHEMBL3079331

NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
LMNA P02545 3/20 0.71
GAA P10253 2/20 0.71
MAPT P10636 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 3/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
GSTP1 P09211 1/20 0.51
GSTM2 P28161 1/20 0.51
PKM P14618 1/20 0.49
CES2 O00748 1/20 0.49

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
Terephthalamide SCHEMBL27950892 0.89 TSHR (1.00) TSHRLMNAGAACES1CA1
SCHEMBL260727 0.89 TSHR (1.00) TSHRLMNAGAACES1CA1
Hydrochloric Acid SCHEMBL11203029 0.87 TSHR (0.96) TSHRLMNAGAACES1CA1
Hydrochloric Acid SCHEMBL27509957 0.85 TSHR (0.92) TSHRLMNAGAACES1CA1
Methyl Alcohol SCHEMBL27858599 0.85 TSHR (0.92) TSHRLMNAGAAMAPTCES1
SCHEMBL13265968 0.84 TSHR (0.62) TSHRLMNAGAAMAPTMEN1
SCHEMBL5696165 0.83 TSHR (0.88) TSHRLMNAGAACES1CA1
SCHEMBL3328543 0.82 MAPT (0.79) LMNAGAAMAPTMEN1KMT2A
SCHEMBL4163474 0.82 MAPT (0.79) LMNAGAAMAPTMEN1KMT2A
Acetic Acid SCHEMBL28100034 0.81 TSHR (0.85) TSHRLMNAGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules THE BURNHAM INSTITUTE 2010-10-14 US disclosed
US-7741521-B2 4-phenylsulfanyl-phenylamine derivatives used as BH3 Interacting Domain Death Antagonist (BID), for the treatment of neurodegenerative diseases, liver inflammation, multiple sclerosis, heart disease, ischemic injury and for controlling apoptotic cascade THE BURNHAM INSTITUTE (US) 2010-06-22 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
US-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus THE BURNHAM INSTITUTE (US) 2007-08-09 US disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 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 (5 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 TSHR 144/4885LMNA 4213/4885GAA 1346/4885
US-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus BID, BAD, TMBIM6 TSHR 4415/4885LMNA 2426/4885GAA 3484/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 TSHR 144/4885LMNA 4213/4885GAA 1346/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 TSHR 4452/4885LMNA 2030/4885GAA 2742/4885
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK TSHR 4806/4885LMNA 3431/4885GAA 2773/4885

“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.