SCHEMBL189995

SCHEMBL189995

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2cc(-c3ccc(OCc4ccccc4)cc3)no2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
YAP1 P46937 3/20 0.48
GPR119 Q8TDV5 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL189806 0.90 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL189746 0.89 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL189583 0.88 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL189576 0.87 KMT2A (0.57) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL189980 0.86 RAB9A (0.49) PRMT5RAB9ANPC1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL189979 0.85 SLC6A2 (0.48) PRMT5RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL17502581 0.83 RAB9A (0.46) PRMT5RAB9ANPC1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL189674 0.82 SLC6A2 (0.46) PRMT5RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL14707191 0.80 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL188839 0.79 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1

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 5 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 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 PRMT5 1472/4885RAB9A 1245/4885NPC1 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.