SCHEMBL16560732

SCHEMBL16560732

c1ccc(Cn2nnc3c(Sc4nnc(-c5ccncc5)o4)ncnc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 1/20 0.63
▸ NOX5 Q96PH1 1/20 0.63
▸ NOX4 Q9NPH5 1/20 0.63
▸ DUOX2 Q9NRD8 1/20 0.63
▸ DUOX1 Q9NRD9 1/20 0.63
▸ NOX1 Q9Y5S8 1/20 0.63
▸ ALDH1A1 P00352 6/20 0.49
▸ GSK3B P49841 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TLR5 O60602 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ PKM P14618 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL23585073 0.86 CYBB (0.47) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL15313075 0.81 CYBB (0.69) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL29490371 0.80 CYBB (0.66) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4937076 0.80 CYBB (0.66) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL2027831 0.77 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL29368383 0.77 CYBB (1.00) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4941814 0.76 KDM1A (0.66) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4930461 0.73 CYBB (0.57) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL4918509 0.73 CYBB (0.57) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL17210872 0.73 CYBB (0.67) CYBBNOX5NOX4DUOX2DUOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041469-B1 TREATMENT AND OR PREVENTION OF METASTATIC PROSTATE CANCER UNIV ARIZONA (US) 2021-06-30 — — EP disclosed
US-10179142-B2 Treatment and/or prevention of bone metastasis THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-01-15 — — US disclosed
US-20160213693-A1 TREATMENT AND/OR PREVENTION OF BONE METASTASIS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2016-07-28 — — US disclosed
US-20160213693-A1 TREATMENT AND/OR PREVENTION OF BONE METASTASIS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2016-07-28 — — US disclosed
WO-2015035072-A1 TREATMENT AND/OR PREVENTION OF BONE METASTASIS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-03-12 — — WO 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-10179142-B2 Treatment and/or prevention of bone metastasis TIAM1, CD2BP2, CD4 CYBB 4310/4885NOX5 4376/4885NOX4 4546/4885
US-20160213693-A1 TREATMENT AND/OR PREVENTION OF BONE METASTASIS TIAM1, CD2BP2, CD4 CYBB 4310/4885NOX5 4376/4885NOX4 4546/4885

“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.

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