SCHEMBL189507

SCHEMBL189507

Fc1cccc(F)c1COc1ccc(-c2cc(Cn3ccnc3)on2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.61
CYP11B2 P19099 7/20 0.61
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL190083 0.92 CYP11B1 (0.58) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL189510 0.86 CYP11B1 (0.59) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL190093 0.84 CYP11B1 (0.60) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL190075 0.84 CYP11B1 (0.72) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL190601 0.84 CYP11B1 (0.56) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL189814 0.80 CYP11B1 (0.60) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL190163 0.78 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1
SCHEMBL189702 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL189713 0.71 MAPK1 (0.56) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL1219945 0.69 CYP11B1 (0.66) CYP11B1CYP11B2MAPTCYP19A1POLB

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 CYP11B1 6/4885CYP11B2 7/4885RAB9A 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.