SCHEMBL189576

SCHEMBL189576

O=C(OCc1cc(-c2ccc(OCc3ccccc3)cc2)no1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RAB9A P51151 7/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.49
PRKDC P78527 1/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMPD1 P17405 1/20 0.46
EGFR P00533 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 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
SCHEMBL189746 0.92 RAB9A (0.52) KMT2AMEN1NPSR1RAB9ANPC1
SCHEMBL189583 0.91 RAB9A (0.51) KMT2AMEN1NPSR1RAB9ANPC1
SCHEMBL189806 0.89 RAB9A (0.52) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL189980 0.89 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL189979 0.89 SLC6A2 (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL189995 0.87 PRMT5 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL17502581 0.86 RAB9A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL189674 0.85 SLC6A2 (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL189462 0.82 RAB9A (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14707191 0.81 RAB9A (0.61) KMT2AMEN1RAB9ANPC1SMN1; 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 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 KMT2A 2313/4885MEN1 2295/4885NPSR1 1100/4885

“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.