SCHEMBL189987

SCHEMBL189987

NC(=O)OCc1cc(-c2ccc(NCc3cc(O)c(O)c(O)c3)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
JAK2 O60674 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 10/20 0.38
CYP2C9 P11712 10/20 0.38
CYP2C19 P33261 10/20 0.38
CYP2D6 P10635 8/20 0.38
LMNA P02545 2/20 0.38
ROCK2 O75116 1/20 0.37
PRKCA P17252 1/20 0.37
GRK2 P25098 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL189372 0.90 CYP1A2 (0.40) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189641 0.87 POLB (0.46) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189718 0.87 CYP3A4 (0.42) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189577 0.87 CYP1A2 (0.39) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189618 0.87 ROCK2 (0.48) CYP1A2SMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL189710 0.85 HDAC1 (0.39) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189346 0.85 MAPT (0.44) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189707 0.85 POLB (0.51) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL189526 0.85 CYP3A4 (0.47) CYP1A2SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL189786 0.85 CA1 (0.40) CYP1A2SMN1; SMN2MAPTPOLBALDH1A1

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 10 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
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
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

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 CYP1A2 15/4885SMN1; SMN2 268/4885MAPT 313/4885

“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.