SCHEMBL189457

SCHEMBL189457

CC(C)(C)C(=[NH+][O-])c1cccc(COc2ccc(-c3cc(COC(N)=O)on3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
NPC1 O15118 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.39
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MRGPRX4 Q96LA9 4/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 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
SCHEMBL190218 0.85 PARP10 (0.49) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL189485 0.81 RAB9A (0.50) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL188944 0.81 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL189840 0.80 RAB9A (0.59) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL189690 0.80 RAB9A (0.54) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL253621 0.80 MAOB (0.55) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL189486 0.79 MAOB (0.57) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL190002 0.78 MAOB (0.53) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL189525 0.78 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL189765 0.78 RAB9A (0.46) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 RAB9A 1245/4885SMN1; SMN2 268/4885NPC1 1852/4885

“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.