SCHEMBL16074989

SCHEMBL16074989

COc1c2nc3cc(C)ccc3oc-2c(C)c(=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
HSD17B10 Q99714 6/20 0.45
TP53 P04637 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX5 P09917 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 5/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 4/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL16069650 0.92 HPGD (0.48) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL16074988 0.90 MAPT (0.42) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL16069633 0.85 NPC1 (0.46) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL16075009 0.84 MAPT (0.47) HPGDHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL16069530 0.82 MAPT (0.42) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL17523137 0.81 APP (0.48) HPGDHSD17B10TP53ALDH1A1KDM4E
SCHEMBL16069668 0.78 APP (0.37) ALOX5NPC1RAB9AMAPTPOLB
SCHEMBL16069651 0.78 KMT2A (0.38) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL16069639 0.77 AGPAT2 (0.41) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL17523119 0.76 MAPT (0.46) HPGDHSD17B10TP53SMN1; SMN2ALDH1A1

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 4 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-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 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 (2 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-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 HPGD 180/4885HSD17B10 278/4885TP53 2557/4885
US-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 HPGD 180/4885HSD17B10 278/4885TP53 2557/4885

“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.