SCHEMBL257876

SCHEMBL257876

CCCCOc1ccc2c(CCC(=O)OCC)nn(C3CCCCO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ALDH2 P05091 2/20 0.37
BRD4 O60885 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
PDE4A P27815 2/20 0.36

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
SCHEMBL12093639 0.90 GPR17 (0.41) PLA2G2APSEN1PSEN2APH1BNCSTN
SCHEMBL12093657 0.90 PDE3B (0.37) HRH3ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL177395 0.88 PPARG (0.42) PLA2G2ALMNAMAPTCYP4F2CYP4A11
SCHEMBL12090385 0.87 LMNA (0.41) MEN1KMT2ALMNAHRH3ALDH1A1
SCHEMBL12093548 0.85 HRH3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL257431 0.84 ELANE (0.44) PLA2G2APSEN1PSEN2APH1BNCSTN
SCHEMBL12355717 0.82 HRH3 (0.36) MEN1KMT2ALMNAHRH3ALDH1A1
SCHEMBL12093629 0.80 HRH3 (0.36) PLA2G2APSEN1PSEN2APH1BNCSTN
SCHEMBL31133333 0.79 LMNA (0.37) MEN1KMT2ALMNAHRH3ALDH1A1
SCHEMBL13323759 0.78 HRH3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 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
WO-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 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 (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 PLA2G2A 4653/4885PSEN1 3624/4885PSEN2 4206/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A PLA2G2A 3489/4885PSEN1 1827/4885PSEN2 3539/4885

“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.