SCHEMBL189200

SCHEMBL189200

NC(=O)OCc1cc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.53
MAOB P27338 7/20 0.53
PPARD Q03181 4/20 0.47
PPARA Q07869 3/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
FFAR1 O14842 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
PPARG P37231 2/20 0.43
MEN1 O00255 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
SCHEMBL189327 0.90 NR4A2 (0.48) SMPD1PPARDPPARARAB9ANPC1
SCHEMBL189486 0.89 MAOB (0.57) MAOBRAB9ANPC1FFAR1L3MBTL1
SCHEMBL189490 0.88 RAB9A (0.60) MAOBRAB9ANPC1FFAR1L3MBTL1
SCHEMBL189528 0.87 SMN1; SMN2 (0.48) SMPD1RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL190018 0.86 MAPT (0.50) MAOBRAB9ANPC1FFAR1L3MBTL1
SCHEMBL189525 0.86 RAB9A (0.60) SMPD1RAB9ANPC1FFAR1L3MBTL1
SCHEMBL190288 0.86 PARP10 (0.56) MAOBRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL189828 0.86 L3MBTL1 (0.61) SMPD1RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL189840 0.86 RAB9A (0.59) SMPD1RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL189195 0.84 RAB9A (0.46) SMPD1RAB9ANPC1L3MBTL1SMN1; 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 SMPD1 1237/4885MAOB 1/4885PPARD 1942/4885

“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.