SCHEMBL2238632

SCHEMBL2238632

CC(C)(C)OC(=O)n1nc(C(F)(F)F)c2ccc(OCCN(Cc3ccccc3)CC(O)c3ccc(F)c([N+](=O)[O-])c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAOB P27338 1/20 0.32
S1PR3 Q99500 1/20 0.32
HCRTR2 O43614 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
NR1H2 P55055 1/20 0.31
BACE1 P56817 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL257723 1.00 NR1H3 (0.35) NR1H3KDM4EALDH1A1MAOBS1PR3
SCHEMBL11897468 0.93 MCL1 (0.37) NR1H3BCL2MCL1NR1H2
SCHEMBL11897466 0.93 MCL1 (0.37) NR1H3BCL2MCL1NR1H2
SCHEMBL176902 0.93 NR1H3 (0.33) NR1H3KDM4EALDH1A1MAOBS1PR3
SCHEMBL2240516 0.93 NR1H3 (0.33) NR1H3KDM4EALDH1A1MAOBS1PR3
SCHEMBL2303787 0.92 MCL1 (0.34) NR1H3KDM4EALDH1A1MAOBS1PR3
SCHEMBL2303790 0.92 MCL1 (0.34) NR1H3KDM4EALDH1A1MAOBS1PR3
SCHEMBL177346 0.92 NR1H3 (0.37) NR1H3KDM4EALDH1A1MAOBS1PR3
SCHEMBL2239287 0.92 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2BCL2
SCHEMBL2239291 0.92 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2BCL2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US 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 (2 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 NR1H3 83/4885KDM4E 4383/4885ALDH1A1 286/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A NR1H3 76/4885KDM4E 4623/4885ALDH1A1 131/4885

“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.