SCHEMBL358224

SCHEMBL358224

COC(=O)c1cc(I)cc(N)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.49
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 5/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
ABL1 P00519 1/20 0.44
SOS1 Q07889 1/20 0.43
NQO2 P16083 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.39
IKBKB O14920 1/20 0.37
CGAS Q8N884 1/20 0.36
CA12 O43570 2/20 0.36

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
SCHEMBL3662758 0.86 SIRT6 (0.39) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL28722488 0.84 KDM4E (0.50) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL913269 0.82 KDM4E (0.49) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL11991549 0.82 SOS1 (0.45) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL30417711 0.80 KDM4E (0.50) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL29007943 0.80 KDM4E (0.50) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL25112469 0.79 KDM4E (0.46) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL16397204 0.79 KDM4E (0.46) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL1461725 0.79 ABL1 (0.60) CFTRKDM4EALDH1A1GAAHSD17B10
SCHEMBL1559038 0.79 KDM4E (0.50) CFTRKDM4EALDH1A1GAAHSD17B10

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 26 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-2234989-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-20120015944-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2012-01-19 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
US-8048905-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-11-01 US 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 (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-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 CFTR 87/4885KDM4E 3385/4885ALDH1A1 2409/4885
US-20150065506-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CFTR 87/4885KDM4E 3385/4885ALDH1A1 2409/4885
US-20120015944-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CFTR 87/4885KDM4E 3385/4885ALDH1A1 2409/4885

“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.