SCHEMBL3436261

SCHEMBL3436261

O=C(O)c1coc(-c2ccoc2)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HDAC1 Q13547 9/20 0.47
HDAC8 Q9BY41 9/20 0.47
HDAC6 Q9UBN7 9/20 0.47
PTPN1 P18031 1/20 0.44
PDE4B Q07343 2/20 0.41
POLB P06746 1/20 0.39
PLAU P00749 1/20 0.38

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
SCHEMBL287420 0.80 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL2080260 0.77 CYP1A2 (0.46) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL2866244 0.77 HDAC1 (0.71) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL3436257 0.77 ALDH1A1 (0.56) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL27700829 0.76 ALDH1A1 (0.54) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL7744184 0.76 HDAC1 (0.69) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL2560216 0.76 HDAC1 (0.69) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL16898659 0.74 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL3436258 0.74 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC8HDAC6PTPN1
SCHEMBL2870864 0.73 HDAC1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885HDAC1 372/4885HDAC8 384/4885

“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.