SCHEMBL11765015

SCHEMBL11765015

COc1nc(OC)nc(N(C)CCO)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.35
SLC29A1 Q99808 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.34
CTSK P43235 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNQ3 O43525 1/20 0.33

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
SCHEMBL11765516 0.96 ALDH1A1 (0.39) ALDH1A1CYP1A2GAAEHMT2EHMT1
SCHEMBL1031875 0.80 CA12 (0.46) ALDH1A1CYP1A2EHMT2EHMT1CA12
SCHEMBL20020052 0.78 SLC29A1 (0.48) ALDH1A1GAATSHRSLC29A1CYP2D6
SCHEMBL17304541 0.74 HTT (0.38) ALDH1A1CYP1A2GAATSHRCYP2C19
SCHEMBL11765549 0.74 ALDH1A1 (0.48) ALDH1A1CYP1A2GAATSHRCYP2D6
SCHEMBL11764977 0.74 LMNA (0.52) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL11772001 0.74 LMNA (0.52) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL12134868 0.73 SLC29A1 (0.41) EHMT2EHMT1CA12CA1CA2
SCHEMBL11765891 0.72 CA12 (0.42) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL11768860 0.72 CA12 (0.42) ALDH1A1CYP1A2EHMT2EHMT1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10261090-B2 Glutathione-detecting fluorescent probe THE UNIVERSITY OF TOKYO (JP) 2019-04-16 US disclosed
US-20170045525-A1 GLUTATHIONE-DETECTING FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2017-02-16 US disclosed
US-3981829-A CATALYST SYSTEM OF ALKANOLAMINOTRIAZINE, HEXAHYDROTRIAZINE, A PHENOL BASF WYANDOTTE CORPORATION (US) 1976-09-21 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-10261090-B2 Glutathione-detecting fluorescent probe GSR, GSTA1, CBR3 ALDH1A1 144/4885CYP1A2 3670/4885GAA 1925/4885

“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.