SCHEMBL10167845

SCHEMBL10167845

O=c1ccc2nc3ccc(CO)cc3oc-2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.68
CYP1A2 P05177 1/20 0.59
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA5A P35218 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALPL P05186 1/20 0.37
POLB P06746 1/20 0.37
ALPI P09923 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37

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
SCHEMBL10208641 0.89 APP (0.64) APPCYP1A2CA12CA2CA3
SCHEMBL563769 0.86 APP (0.66) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL1094100 0.82 APP (0.59) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL6998321 0.82 APP (0.67) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL9537836 0.82 APP (0.59) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL19831443 0.82 APP (0.59) APPCYP1A2MEN1POLBMAPT
Water SCHEMBL18894321 0.81 APP (0.58) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL4922053 0.81 APP (0.57) APPCYP1A2
SCHEMBL8066 0.81 APP (1.00) APPCYP1A2MEN1POLBKMT2A
Alcohol SCHEMBL6810203 0.81 APP (0.86) APPCYP1A2MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670170-B2 Resorufin derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-06-06 US disclosed
US-9296712-B2 Resorufin derivatives for treatment of oxidative stress disorders EDISON PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-02-11 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-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2015-06-25 US disclosed
US-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 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-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 12/4885CA12 463/4885
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 APP 3242/4885CYP1A2 12/4885CA12 463/4885
US-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 APP 482/4885CYP1A2 1581/4885CA12 4877/4885
US-20120035359-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 APP 3242/4885CYP1A2 12/4885CA12 463/4885
US-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 APP 482/4885CYP1A2 1581/4885CA12 4877/4885

“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.