SCHEMBL189961

SCHEMBL189961

OCc1cc(-c2ccc(OCCCl)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.61
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
CXCR1 P25024 2/20 0.43
CYP1A2 P05177 1/20 0.43
JAK2 O60674 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
SCHEMBL189282 0.87 NOTUM (0.59) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL1566577 0.79 SMN1; SMN2 (0.64) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL189217 0.79 NOTUM (0.52) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL189559 0.78 NOTUM (0.66) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL27331707 0.78 NOTUM (0.58) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL1220844 0.77 L3MBTL1 (0.53) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL1221320 0.77 CYP19A1 (0.55) L3MBTL1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4311207 0.77 NOTUM (1.00) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL189713 0.76 MAPK1 (0.56) MEN1KMT2AALDH1A1LMNA
SCHEMBL1221909 0.76 L3MBTL1 (0.59) NOTUML3MBTL1MAPTSMN1; SMN2RAB9A

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 5 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

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 1260/4885L3MBTL1 4729/4885MAPT 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.