SCHEMBL190360

SCHEMBL190360

COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)ns1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
MCL1 Q07820 5/20 0.51
SMPD1 P17405 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.46
GSTP1 P09211 1/20 0.46
LMNA P02545 2/20 0.46
XDH P47989 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44

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
SCHEMBL17502570 0.89 PSMB8 (0.44) NR4A2MCL1SMPD1NPC1RAB9A
SCHEMBL27843564 0.81 NPC1 (0.58) MCL1SMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL11005342 0.81 MAPT (0.54) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL13133312 0.79 NR1H4 (0.51) NR4A2MCL1SMPD1NPC1RAB9A
SCHEMBL3712555 0.77 HDAC1 (0.62) MCL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1331833 0.77 NR4A2 (0.81) NR4A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3712561 0.76 MCL1 (0.59) NR4A2MCL1NPC1RAB9ASMN1; SMN2
SCHEMBL28027335 0.76 MAOB (0.48) NR4A2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL190703 0.75 MCL1 (0.50) NR4A2MCL1SMPD1NPC1RAB9A
SCHEMBL6667136 0.75 MAPT (0.51) MCL1NPC1RAB9ASMN1; SMN2POLB

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 7 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
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 NR4A2 2478/4885MCL1 4046/4885SMPD1 1237/4885

“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.