SCHEMBL257431

SCHEMBL257431

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.44
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PLA2G2A P14555 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
SCHEMBL2237767 0.87 HTR3A (0.46) ELANEGABRA1GABRG2GABRB3GABRA5
SCHEMBL12090318 0.86 ELANE (0.48) ELANEF2PLAU
SCHEMBL257733 0.85 ELANE (0.47) ELANEF2PLAUGAA
SCHEMBL9959964 0.84 ELANE (0.47) ELANEGABRG2GABRB3GABRA5F2
SCHEMBL9959564 0.84 ELANE (0.47) ELANEGABRA1GABRG2GABRB3GABRA5
SCHEMBL257876 0.84 PLA2G2A (0.40) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL12093629 0.83 HRH3 (0.36) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL12093548 0.82 HRH3 (0.39) HRH3PSEN1PSEN2APH1BNCSTN
SCHEMBL2239274 0.81 ELANE (0.45) ELANEF2PLAU
SCHEMBL13323759 0.81 HRH3 (0.39) HRH3PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP 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-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
WO-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 WO disclosed
WO-2010041568-A1 INDAZOLE DERIVATIVE 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-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 ELANE 1751/4885GABRA1 832/4885GABRG2 2639/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ELANE 1230/4885GABRA1 812/4885GABRG2 2592/4885

“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.