SCHEMBL3435049

SCHEMBL3435049

CCOC(=O)C1CCCN(c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.70
▸ LMNA P02545 1/20 0.70
▸ MAPT P10636 4/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ HTT P42858 3/20 0.68
▸ POLB P06746 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ THRB P10828 1/20 0.68
▸ S100A4 P26447 1/20 0.68
▸ RECQL P46063 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TP53 P04637 1/20 0.53

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
SCHEMBL17599469 0.87 ALDH1A1 (0.69) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL3435047 0.86 MAPT (0.69) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL6316326 0.84 ALDH1A1 (0.64) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL3436332 0.83 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AHTTPOLB
SCHEMBL3455456 0.82 ALDH1A1 (1.00) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL29956907 0.82 ALDH1A1 (0.69) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL2559422 0.82 ALDH1A1 (0.69) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL29954516 0.82 ALDH1A1 (0.69) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL3436239 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AHTTPOLB
SCHEMBL17599556 0.81 KMT2A (0.57) ALDH1A1LMNAMAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 975/4885LMNA 4712/4885MAPT 1330/4885

“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.

Send feedback