SCHEMBL357671

SCHEMBL357671

O=C(O)c1cc(I)cc([N+](=O)[O-])c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.46
CASP6 P55212 1/20 0.43
TSHR P16473 3/20 0.40
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PARP1 P09874 1/20 0.36
APEX1 P27695 1/20 0.36
GPR35 Q9HC97 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL13928802 0.83 DTYMK (0.42) DTYMKCASP6TSHRAKR1C2AKR1C1
SCHEMBL912596 0.82 TTR (0.45) DTYMKCASP6TSHRLMNAMAPT
SCHEMBL357183 0.81 SIRT6 (0.44) LMNAMAPTHTTTDP1ALDH1A1
SCHEMBL23499792 0.81 CA1 (0.49) DTYMKCASP6TSHRLMNAHTT
SCHEMBL5219288 0.81 CA1 (0.53) DTYMKLMNAMAPTHTTTDP1
SCHEMBL1039209 0.80 DTYMK (0.46) DTYMKCASP6TSHRAKR1C2AKR1C1
SCHEMBL1461739 0.79 DTYMK (0.42) DTYMKCASP6TSHRAKR1C2AKR1C1
SCHEMBL2896179 0.79 DTYMK (0.46) DTYMKCASP6TSHRLMNATDP1
SCHEMBL18342840 0.79 GPR35 (0.51) DTYMKCASP6TSHRAKR1C2AKR1C1
SCHEMBL23499791 0.79 TSHR (0.56) DTYMKCASP6TSHRAKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512089-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-9512089-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-9512089-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
US-8841336-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-23 US disclosed
US-8841336-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-23 US disclosed
US-8841336-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-23 US disclosed
EP-2570407-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-08-13 EP disclosed
US-8048905-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-11-01 US disclosed
US-8048905-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-11-01 US disclosed
US-8048905-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-11-01 US disclosed
CN-101903362-A Tetrazole substituted arylamide derivatives and their use as P2X3And/or P2X2/3Use of purinergic receptor antagonists HOFFMANN LA ROCHE 2010-12-01 CN disclosed
EP-2234989-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 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 (2 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-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 DTYMK 2162/4885CASP6 4003/4885TSHR 119/4885
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 DTYMK 2162/4885CASP6 4003/4885TSHR 119/4885

“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.