SCHEMBL10208641

SCHEMBL10208641

O=c1ccc2nc3ccc(CCO)cc3oc-2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.64
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.33
BACE1 P56817 1/20 0.33
SNCA P37840 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL10167845 0.89 APP (0.68) APPCYP1A2KDM4EALDH1A1MAPT
SCHEMBL4922053 0.84 APP (0.57) APPCYP1A2PDE3BPDE3AP2RY12
SCHEMBL563769 0.83 APP (0.66) APPCYP1A2KDM4EALDH1A1MAPT
SCHEMBL738742 0.83 APP (0.59) APPCYP1A2MAPT
SCHEMBL7601681 0.82 APP (0.58) APPCYP1A2MAPT
SCHEMBL3104713 0.82 APP (0.55) APPCYP1A2
SCHEMBL5681747 0.82 APP (0.55) APPCYP1A2MAPTPDE3BPDE3A
SCHEMBL5710520 0.82 APP (0.55) APPCYP1A2MAPTPDE3BPDE3A
SCHEMBL9537836 0.80 APP (0.59) APPCYP1A2KDM4EALDH1A1MAPT
SCHEMBL6998321 0.80 APP (0.67) APPCYP1A2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035359-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF THE WASHINGTON UNIVERSITY (US) 2012-02-09 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-20120035359-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 APP 3242/4885CYP1A2 12/4885KDM4E 1235/4885

“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.