SCHEMBL190002

SCHEMBL190002

NC(=O)OCc1cc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL188944 0.85 SMN1; SMN2 (0.60) MAOBGABRA1GABRB2MAPTRAB9A
SCHEMBL189840 0.85 RAB9A (0.59) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL190218 0.84 PARP10 (0.49) MAOBMAPTRAB9AL3MBTL1NPC1
SCHEMBL253621 0.84 MAOB (0.55) MAOBMAOAMAPTRAB9AL3MBTL1
SCHEMBL189690 0.84 RAB9A (0.54) MAOBMAOAMAPTRAB9AL3MBTL1
SCHEMBL189485 0.84 RAB9A (0.50) MAOBMAPTRAB9AL3MBTL1NPC1
SCHEMBL189765 0.82 RAB9A (0.46) MAOBMAOAMAPTRAB9AL3MBTL1
SCHEMBL189486 0.82 MAOB (0.57) MAOBMAPTRAB9AL3MBTL1NPC1
SCHEMBL189410 0.81 RAB9A (0.51) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL189525 0.81 RAB9A (0.60) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290464-B2 Pharmaceutical composition for inhibiting apoptosis of neuron or neurodegeneration SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-03-22 US 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 claimed
US-20140350062-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO LTD (KR) 2014-11-27 US claimed
US-8841335-B2 Pharmaceutical composition for inhibiting apoptosis of neuron or neurodegeneration SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-23 US 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-2566475-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK Biopharmaceuticals Co., Ltd. (KR) 2013-03-13 EP claimed
US-20130046001-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-02-21 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-2011139079-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-11-10 WO 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
US-9290464-B2 Pharmaceutical composition for inhibiting apoptosis of neuron or neurodegeneration SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-03-22 US disclosed
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-20140350062-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO LTD (KR) 2014-11-27 US disclosed
US-8841335-B2 Pharmaceutical composition for inhibiting apoptosis of neuron or neurodegeneration SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-23 US disclosed
US-20130046001-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-02-21 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-2011139079-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-11-10 WO 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 (3 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 MAOB 1/4885MAOA 2/4885GABRA1 686/4885
US-20140350062-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION BAX, NLN, CASP3 MAOB 1061/4885MAOA 959/4885GABRA1 1687/4885
US-20130046001-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION BAX, NLN, CASP3 MAOB 1061/4885MAOA 959/4885GABRA1 1687/4885

“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.