Sugi Predict

Sugi Predict / Compounds / SCHEMBL176902

SCHEMBL176902

SCHEMBL176902

Cc1nn(C(=O)OC(C)(C)C)c2cc(OCCN(Cc3ccccc3)C[C@H](O)c3ccc(F)c([N+](=O)[O-])c3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 5/20 0.33
▸ MAOB P27338 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ HCRTR2 O43614 4/20 0.32
▸ MCL1 Q07820 2/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2240516 1.00 NR1H3 (0.33) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL2303790 0.93 MCL1 (0.34) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL2303787 0.93 MCL1 (0.34) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL2238632 0.93 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL257723 0.93 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL2239287 0.92 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL2239291 0.92 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2MCL1
SCHEMBL2245225 0.92 MCL1 (0.38) MCL1BCL2
SCHEMBL2245229 0.92 MCL1 (0.38) MCL1BCL2
SCHEMBL176796 0.92 NR1H3 (0.35) NR1H3MAOBS1PR3HCRTR2HTR1A

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 11 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
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 — — US disclosed
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-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 — — US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 — — US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 — — EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 — — US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 — — 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 83/4885MAOB 605/4885S1PR3 1384/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A NR1H3 76/4885MAOB 411/4885S1PR3 2759/4885

“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.