SCHEMBL189217

SCHEMBL189217

OCc1cc(-c2ccc(OCC3CCCC3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.52
CXCR1 P25024 1/20 0.50
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
PARP15 Q460N3 3/20 0.44
PARP10 Q53GL7 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP2 Q9UGN5 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL189498 0.83 PARP10 (0.49) CXCR1RAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL189795 0.82 PARP10 (0.50) CXCR1RAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL189961 0.79 NOTUM (0.61) NOTUMCXCR1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL189282 0.77 NOTUM (0.59) NOTUMCXCR1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1566577 0.75 SMN1; SMN2 (0.64) NOTUMRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL189559 0.74 NOTUM (0.66) NOTUMRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL15104544 0.71 NOTUM (0.59) NOTUMRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL27331707 0.71 NOTUM (0.58) NOTUMRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL190291 0.71 NOTUM (0.72) NOTUMRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL3233333 0.71 NOTUM (0.72) NOTUMRAB9ASMN1; SMN2L3MBTL1NPC1

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 NOTUM 1260/4885CXCR1 4133/4885RAB9A 1245/4885

“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.