SCHEMBL190629

SCHEMBL190629

CCCOc1ccc(-c2cc(COC(N)=O)on2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMPD1 P17405 1/20 0.45
PTGS2 P35354 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
PDE10A Q9Y233 1/20 0.43
HPGD P15428 1/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL189579 0.95 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL190352 0.93 SMPD1 (0.48) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL189585 0.92 SMPD1 (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL189966 0.90 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL189578 0.90 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL190253 0.90 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL189902 0.89 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL189402 0.88 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
SCHEMBL27824338 0.88 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1
Hydrochloric Acid SCHEMBL189401 0.87 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401263-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK Biopharmaceuticals Co., Ltd. (KR) 2012-01-04 EP claimed
US-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO., LTD. 2011-12-08 US claimed
WO-2010098600-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK HOLDINGS CO., LTD. (KR) 2010-09-02 WO claimed
EP-2401263-B1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO LTD (KR) 2016-02-17 EP disclosed
US-8828992-B2 Substituted azole derivatives, pharmaceutical composition containing the derivatives, and method for treating Parkinson's disease using the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-09 US disclosed
EP-2401263-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK Biopharmaceuticals Co., Ltd. (KR) 2012-01-04 EP disclosed
US-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK BIOPHARMACEUTICALS CO., LTD. 2011-12-08 US disclosed
WO-2010098600-A2 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME SK HOLDINGS CO., LTD. (KR) 2010-09-02 WO 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 (1 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-20110301150-A1 SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME MAOB, MAOA, PARK7 SMN1; SMN2 268/4885RAB9A 1245/4885L3MBTL1 4729/4885

“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.