SCHEMBL830595

SCHEMBL830595

NC(=O)c1cccc(N=O)c1.NC(=O)c1cccc(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.72
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ EGLN2 Q96KS0 1/20 0.44
▸ FASN P49327 1/20 0.42
▸ STS P08842 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41

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
Nitrosobenzene SCHEMBL27789607 0.92 PARP1 (0.70) PARP1CA12CA1CA2CA6
SCHEMBL29551821 0.91 PARP1 (0.55) PARP1POLBMEN1KMT2AMAPT
SCHEMBL1565391 0.91 PARP1 (0.55) PARP1POLBMEN1KMT2AMAPT
SCHEMBL31747489 0.85 PARP1 (1.00) PARP1CA12CA1CA2CA6
SCHEMBL161861 0.85 PARP1 (1.00) PARP1CA12CA1CA2CA6
Hydrochloric Acid SCHEMBL28324358 0.83 PARP1 (0.95) PARP1CA12CA1CA2CA6
Hydrochloric Acid SCHEMBL28287875 0.83 PARP1 (0.95) PARP1CA12CA1CA2CA6
SCHEMBL942655 0.79 — —
SCHEMBL28617157 0.77 PARP1 (0.57) PARP1POLBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28890912 0.77 CA12 (0.50) PARP1CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322475-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE UAB RESEARCH FOUNDATION 2021-10-21 — — US disclosed
EP-3877514-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER In8bio, Inc. (US) 2021-09-15 — — EP disclosed
US-20210046072-A1 COMBINATION OF AN INHIBITOR OF PARP WITH AN INHIBITOR OF GSK-3 OR DOT1L KING'S COLLEGE LONDON (GB) 2021-02-18 — — US disclosed
US-10799501-B2 Combination of an inhibitor of PARP with an inhibitor of GSK-3 or DOT1L KING'S COLLEGE HOSPITAL NHS FOUNDATION TRUST (GB) 2020-10-13 — — US disclosed
US-20190076427-A1 COMBINATION OF AN INHIBITOR OF PARP WITH AN INHIBITOR OF GSK-3 OR DOT1L KING'S COLLEGE HOSPITAL NHS FOUNDATION TRUST (GB) 2019-03-14 — — US disclosed
EP-3370774-A1 COMBINATION OF AN INHIBITOR OF PARP WITH AN INHIBITOR OF GSK-3 OR DOT1L King's College London (GB) 2018-09-12 — — EP disclosed
WO-2017077326-A1 COMBINATION OF AN INHIBITOR OF PARP WITH AN INHIBITOR OF GSK-3 OR DOT1L KING'S COLLEGE LONDON (GB) 2017-05-11 — — WO disclosed
EP-3047034-A1 BIOMARKERS CORRELATED TO PARP INHIBITOR TREATMENT SUCCESS IN AML PATIENTS King's College London (GB) 2016-07-27 — — EP disclosed
US-20160208339-A1 BIOMARKERS CORRELATED TO PARP INHIBITOR TREATMENT SUCCESS IN AML PATIENTS KING'S COLLEGE LONDON (GB) 2016-07-21 — — US disclosed
WO-2015040378-A1 BIOMARKERS CORRELATED TO PARP INHIBITOR TREATMENT SUCCESS IN AML PATIENTS KING'S COLLEGE LONDON (GB) 2015-03-26 — — WO disclosed
US-8143241-B2 DNA damage repair inhibitors for treatment of cancer KUDOS PHARMACEUTICALS LIMITED (GB) 2012-03-27 — — US disclosed
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA R&D (SE) 2010-09-30 — — US disclosed
EP-2167086-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS AstraZeneca AB (SE) 2010-03-31 — — EP disclosed
WO-2008146035-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA AB (SE) 2008-12-04 — — WO disclosed
US-20060142231-A1 DNA damage repair inhibitors for treatment of cancer KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 — — 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-20210046072-A1 COMBINATION OF AN INHIBITOR OF PARP WITH AN INHIBITOR OF GSK-3 OR DOT1L PARP3, PARP11, GSK3A PARP1 5/4885CA12 4392/4885CA1 4179/4885
US-10799501-B2 Combination of an inhibitor of PARP with an inhibitor of GSK-3 or DOT1L PARP3, PARP11, GSK3A PARP1 5/4885CA12 4392/4885CA1 4179/4885
US-20060142231-A1 DNA damage repair inhibitors for treatment of cancer MRE11, PARP2, ERCC4 PARP1 4/4885CA12 4641/4885CA1 4635/4885
US-20190076427-A1 COMBINATION OF AN INHIBITOR OF PARP WITH AN INHIBITOR OF GSK-3 OR DOT1L PARP3, PARP11, GSK3A PARP1 5/4885CA12 4392/4885CA1 4179/4885
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS CHEK1, CHEK2, PARP1 PARP1 3/4885CA12 2223/4885CA1 3688/4885

“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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