SCHEMBL310877

SCHEMBL310877

O=C(O)c1cccc(I)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 2/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TP53 P04637 1/20 0.42
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL1497989 0.86 TSHR (0.60) TSHRALDH1A1ALOX15DNA2CASP6
SCHEMBL2264758 0.85 PARP1 (0.44) TSHRALDH1A1CTDSP1TDP1GPR35
SCHEMBL28013923 0.84 AKR1C3 (0.46) ALDH1A1TP53TDP1MAPTMEN1
SCHEMBL27771692 0.84 TSHR (0.58) TSHRALDH1A1ALOX15DNA2CASP6
SCHEMBL28171346 0.84 TSHR (0.58) TSHRALDH1A1ALOX15DNA2CASP6
SCHEMBL30490414 0.84 TSHR (0.58) TSHRALDH1A1ALOX15DNA2CASP6
SCHEMBL16956953 0.83 ALDH1A1 (0.44) TSHRALDH1A1TDP1GPR35MAPT
Ethylene SCHEMBL29290025 0.82 TSHR (0.56) TSHRALDH1A1ALOX15DNA2CASP6
SCHEMBL17707780 0.81 ALDH1A1 (0.49) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL14054978 0.81 ALDH1A1 (0.52) TSHRALDH1A1ALOX15TDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102464656-B Two-oxazoline contained chiral dinuclear ligand with benzo cinnoline maternal skeleton, and synthesis method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 CN claimed
CN-102464656-A Chiral binuclear ligand containing two oxazolines and having benzocinnoline parent skeleton and synthetic method thereof UNIV SHANGHAI JIAOTONG 2012-05-23 CN claimed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-9849136-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-12-26 US disclosed
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-06-29 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9617254-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-04-11 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
EP-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 US disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed
CN-1084329-C Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2002-05-08 CN disclosed
CN-1183768-A Benzyl piepridine derivs as pharmaceutical agents HOFFMANN LA ROCHE (CH) 1998-06-03 CN 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 (9 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 TSHR 131/4885ALDH1A1 4283/4885ALOX15 3572/4885
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 TSHR 73/4885ALDH1A1 1117/4885ALOX15 3879/4885
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 TSHR 301/4885ALDH1A1 2011/4885ALOX15 3746/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 TSHR 132/4885ALDH1A1 4311/4885ALOX15 3580/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 TSHR 180/4885ALDH1A1 1621/4885ALOX15 1828/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 TSHR 127/4885ALDH1A1 947/4885ALOX15 2956/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 TSHR 178/4885ALDH1A1 2080/4885ALOX15 1893/4885
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R TSHR 116/4885ALDH1A1 380/4885ALOX15 2621/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 TSHR 565/4885ALDH1A1 1946/4885ALOX15 2731/4885

“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.