SCHEMBL639726

SCHEMBL639726

CCOC(=O)N/N=C(/C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.44
MAPT P10636 5/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MIF P14174 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL14938446 0.82 ALDH1A1 (0.43) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL21238522 0.80 ALDH1A1 (0.46) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL4659997 0.79 RAB9A (0.49) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL3517357 0.78 RAB9A (0.47) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL3522854 0.78 RAB9A (0.47) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL3522852 0.78 RAB9A (0.47) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL10343768 0.76 RAB9A (0.46) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL9523119 0.74 MAPT (0.75) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL28349630 0.74 ALOX15 (0.46) ALDH1A1HPGDRAB9AMAPTCYP1A2
SCHEMBL20758285 0.74 ALDH1A1 (0.39) ALDH1A1HPGDMAPTPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 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-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
US-9173861-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2015-11-03 US disclosed
EP-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
EP-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-05-17 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 US disclosed
EP-2379518-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069794-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
WO-2010069794-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 US disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 US disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 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-20120122886-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 ALDH1A1 1621/4885HPGD 1339/4885RAB9A 2484/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 ALDH1A1 1621/4885HPGD 1339/4885RAB9A 2484/4885
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 ALDH1A1 1621/4885HPGD 1339/4885RAB9A 2484/4885

“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.