SCHEMBL189177

SCHEMBL189177

Cc1cn(Cc2cc(-c3ccc(OCc4ccc(F)cc4F)cc3)no2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAOB P27338 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CXCR1 P25024 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALKBH1 Q13686 1/20 0.37
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
GRM5 P41594 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL190062 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL189908 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL190601 0.83 CYP11B1 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL189880 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL189288 0.78 CYP11B1 (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL190101 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL19157651 0.73 KDM5B (0.48) SMN1; SMN2TDP1
SCHEMBL190083 0.71 CYP11B1 (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL189748 0.71 RAB9A (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL190093 0.70 CYP11B1 (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT

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 13 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
CN-102333764-B The pyrrole derivative replaced, containing the medicinal compositions of these derivatives and treat parkinsonian method with it SK BIOPHARMACEUTICALS CO.,LTD. (KR) 2016-01-06 CN 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
CN-102333764-B The pyrrole derivative replaced, containing the medicinal compositions of these derivatives and treat parkinsonian method with it SK BIOPHARMACEUTICALS CO.,LTD. (KR) 2016-01-06 CN 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
CN-102333764-A Substituted azole derivatives, pharmaceutical composition containing the derivatives, and method for treating parkinson's disease using the same SK HOLDINGS CO LTD 2012-01-25 CN 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 1245/4885NPC1 1852/4885SMN1; SMN2 268/4885

“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.