SCHEMBL189588

SCHEMBL189588

O=[N+]([O-])c1ccc(-c2cc(CO)on2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.60
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
CXCR1 P25024 1/20 0.49
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C9 P11712 2/20 0.41
TSPO P30536 1/20 0.41

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
SCHEMBL2920882 0.85 NOTUM (0.60) NOTUMCA12CA9CXCR1MAPT
SCHEMBL1220104 0.85 CA12 (0.52) NOTUMCA12CA9CXCR1MAPT
SCHEMBL27872202 0.82 CA12 (0.50) NOTUMCA12CA9CXCR1MAPT
SCHEMBL17978447 0.80 CA12 (0.48) CA12CA9CXCR1MAPTNPC1
SCHEMBL3459689 0.80 CXCR1 (0.49) CA12CA9CXCR1MAPTNPC1
SCHEMBL19403807 0.78 CXCR1 (0.50) CA12CA9CXCR1MAPTNPC1
SCHEMBL190291 0.77 NOTUM (0.72) NOTUMMAPTNPC1RAB9AALDH1A1
SCHEMBL3233333 0.77 NOTUM (0.72) NOTUMNPC1RAB9AALDH1A1LMNA
SCHEMBL16549592 0.76 RAB9A (0.54) CA12CA9CXCR1MAPTNPC1
SCHEMBL30930760 0.76 NOTUM (0.47) NOTUMMAPTNPC1RAB9APOLB

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 6 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
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
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
CN-1687075-A 3-phenyl iso-oxazole-5-aminocarbonyl substituted beta-lactam derivative and application TIANJIN MEDICINE INST (CN) 2005-10-26 CN 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 NOTUM 1260/4885CA12 2324/4885CA9 783/4885

“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.