SCHEMBL189297

SCHEMBL189297

O=[N+]([O-])c1cn(Cc2cc(-c3ccc(OCc4ccccc4)cc3)no2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SMPD1 P17405 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PTGES O14684 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
SCHEMBL189748 0.88 RAB9A (0.57) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL189628 0.84 RAB9A (0.52) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL189880 0.83 RAB9A (0.54) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL189802 0.79 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL190075 0.78 CYP11B1 (0.72) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL189375 0.74 CXCR1 (0.56) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL190478 0.74 RAB9A (0.56) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL190062 0.73 RAB9A (0.53) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1
SCHEMBL31307771 0.73 ALDH1A1 (0.52) RAB9AALDH1A1PKMTAAR1
SCHEMBL190906 0.73 CXCR1 (0.57) RAB9ASMN1; SMN2NPC1TDP1L3MBTL1

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 14 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
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 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 1245/4885SMN1; SMN2 268/4885NPC1 1852/4885

“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.