SCHEMBL189288

SCHEMBL189288

Cc1cn(Cc2cc(-c3ccc(O)cc3)no2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 1/20 0.45
NOTUM Q6P988 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HTT P42858 1/20 0.37
ALPL P05186 2/20 0.37
POLB P06746 2/20 0.37
PLAA Q9Y263 1/20 0.37

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
SCHEMBL189880 0.82 RAB9A (0.54) CYP11B1CYP11B2SMN1; SMN2RAB9AL3MBTL1
SCHEMBL190062 0.80 RAB9A (0.53) CYP11B1CYP11B2SMN1; SMN2RAB9AL3MBTL1
SCHEMBL189177 0.78 RAB9A (0.47) CYP11B1CYP11B2SMN1; SMN2RAB9AL3MBTL1
SCHEMBL189908 0.78 RAB9A (0.47) SMN1; SMN2RAB9AL3MBTL1NPC1MAPT
SCHEMBL190163 0.76 CYP11B1 (0.76) CYP11B1CYP11B2NOTUM
SCHEMBL17233329 0.73 NOTUM (0.51) CYP11B1NOTUMSMN1; SMN2RAB9AL3MBTL1
SCHEMBL190291 0.71 NOTUM (0.72) CYP11B1NOTUMSMN1; SMN2RAB9AL3MBTL1
SCHEMBL189748 0.70 RAB9A (0.57) CYP11B1CYP11B2NOTUMSMN1; SMN2RAB9A
SCHEMBL2901444 0.70 NOTUM (0.70) CYP11B1NOTUMSMN1; SMN2RAB9AL3MBTL1
SCHEMBL3722758 0.70 NOTUM (0.56) CYP11B1NOTUMSMN1; SMN2RAB9AL3MBTL1

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 CYP11B1 6/4885CYP11B2 7/4885NOTUM 1260/4885

“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.