SCHEMBL310417

SCHEMBL310417

COC(=O)c1cc(I)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 2/20 0.50
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
MAPT P10636 3/20 0.49
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.47
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL561284 0.88 HTT (0.64) HTTSMN1; SMN2GAAPOLBMEN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.88 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL15706894 0.85 ALOX5 (0.47) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL16684292 0.83 SMN1; SMN2 (0.49) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8413415 0.83 HTT (0.56) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8762477 0.83 HTT (0.59) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL4162991 0.83 NPC1 (0.69) SMN1; SMN2KMT2AMAPTNPC1ALOX5
SCHEMBL3082334 0.81 TSHR (0.57) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL16957610 0.81 HTT (0.55) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL38446 0.81 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9849136-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-12-26 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-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-06-29 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-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
CN-1069633-C Iodo-substituted X-ray contrast agents NYCOMED IMAGING AS (NO) 2001-08-15 CN disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
CN-1166826-A Iodo-substituted X-ray contrast agents NYCOMED IMAGING AS (NO) 1997-12-03 CN disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed
CN-1090572-A \" new polyiodide, their preparation method and contain their contrast medium \ GUERBET SA (FR) 1994-08-10 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 (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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 HTT 2066/4885SMN1; SMN2 1569/4885GAA 2972/4885
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 HTT 2869/4885SMN1; SMN2 3216/4885GAA 4216/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 HTT 1943/4885SMN1; SMN2 1527/4885GAA 3028/4885

“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.