SCHEMBL10167864

SCHEMBL10167864

COc1cccc(COc2ccc3nc4ccc(=O)cc-4oc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 1.00
CYP1A2 P05177 1/20 0.65
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAOB P27338 2/20 0.53
ACHE P22303 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.47

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
SCHEMBL1104921 0.89 APP (1.00) APPCYP1A2NPC1RAB9AMEN1
SCHEMBL19630613 0.87 APP (0.77) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL29809000 0.87 APP (0.79) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL563335 0.87 APP (0.79) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL563392 0.85 APP (1.00) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL31115697 0.85 APP (1.00) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL25735939 0.82 APP (0.79) APPCYP1A2NPC1RAB9AMEN1
SCHEMBL10167882 0.82 APP (1.00) APPCYP1A2NPC1RAB9AACHE
SCHEMBL19627047 0.82 APP (0.70) APPCYP1A2
SCHEMBL19627050 0.81 APP (0.78) APPCYP1A2MAOBACHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-9216974-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-12-22 US disclosed
US-9216974-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-12-22 US disclosed
US-9115099-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-08-25 US disclosed
US-9115099-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-08-25 US disclosed
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2015-06-25 US disclosed
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2015-06-25 US disclosed
US-20140221647-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2014-08-07 US disclosed
US-20140221647-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2014-08-07 US disclosed
US-8735575-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2014-05-27 US disclosed
US-8735575-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2014-05-27 US disclosed
US-20120035359-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF THE WASHINGTON UNIVERSITY (US) 2012-02-09 US disclosed
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 (5 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-20140221647-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 APP 3242/4885CYP1A2 12/4885NPC1 4157/4885
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 APP 3242/4885CYP1A2 12/4885NPC1 4157/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS APP 3721/4885CYP1A2 2469/4885NPC1 3771/4885
US-20120035359-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 APP 3242/4885CYP1A2 12/4885NPC1 4157/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 APP 3490/4885CYP1A2 4154/4885NPC1 4064/4885

“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.