SCHEMBL105984

SCHEMBL105984

NCCCNc1ccc2c(CNCCO)nn3c4c(O)ccc(O)c4c(=O)c1c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ NQO2 P16083 4/20 0.37
▸ NQO1 P15559 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ TOP2A P11388 2/20 0.36
▸ NSD2 O96028 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ CACNA1F O60840 1/20 0.36

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
SCHEMBL29369288 1.00 IDO1 (0.37) IDO1NQO2NQO1MEN1USP2
Hydrochloric Acid SCHEMBL1650422 0.98 NQO2 (0.36) IDO1NQO2NQO1MEN1USP2
SCHEMBL8543978 0.94 IDO1 (0.35) IDO1NQO2NQO1MEN1USP2
SCHEMBL5082535 0.92 IDO1 (0.37) IDO1NQO2NQO1MEN1USP2
SCHEMBL8542166 0.92 MEN1 (0.44) NQO2NQO1MEN1USP2LMNA
SCHEMBL8546191 0.91 IDO1 (0.37) IDO1NQO2NQO1
SCHEMBL8545959 0.90 NQO2 (0.38) IDO1NQO2NQO1MEN1USP2
SCHEMBL8543922 0.89 MEN1 (0.37) NQO2NQO1MEN1USP2LMNA
SCHEMBL8543902 0.87 IDO1 (0.35) IDO1NQO2NQO1
SCHEMBL8547450 0.86 NQO1 (0.43) NQO2NQO1PAX8SMARCA2

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 1777 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM 2023-02-09 — — US claimed
EP-2805945-B1 Amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors MSD ITALIA SRL (IT) 2019-04-03 — — EP claimed
EP-2603222-B1 COMBINATORY CANCER TREATMENT UNIV MONTREAL (CA) 2018-10-17 — — EP claimed
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors TEXAS TECH UNIVERSITY SYSTEM 2016-12-01 — — US claimed
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 — — US claimed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 — — US claimed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 — — US claimed
US-20260132164-A1 PNU ANTHRACYCLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2026-05-14 — — US disclosed
EP-4076459-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-04-29 — — EP disclosed
US-12595248-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-04-07 — — US disclosed
US-12595262-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-04-07 — — US disclosed
US-12583871-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-24 — — US disclosed
US-12552826-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-02-17 — — US disclosed
WO-2001062251-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 — — WO disclosed
US-6245759-B1 PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVES; ANTICARCINOGENIC AND ANTITUMOR AGENTS; ATHEROSCLEROSIS, ANGIOGENESIS INHIBITORS MERCK & CO., INC. 2001-06-12 — — US disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 — — WO disclosed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 — — WO disclosed
EP-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
US-5220026-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 — — US disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 — — EP 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 (9 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-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS MGMT, SHMT2, SHMT1 IDO1 3048/4885NQO2 1072/4885NQO1 68/4885
US-12595248-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT6 IDO1 3257/4885NQO2 744/4885NQO1 1627/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 IDO1 777/4885NQO2 539/4885NQO1 236/4885
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors MGMT, NNMT, GNMT IDO1 3918/4885NQO2 867/4885NQO1 117/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 IDO1 777/4885NQO2 539/4885NQO1 236/4885
US-12595262-B2 PRMT5 inhibitors PRMT1, PRMT5, CARM1 IDO1 3216/4885NQO2 2192/4885NQO1 3173/4885
US-20260132164-A1 PNU ANTHRACYCLINE DERIVATIVES AND METHODS OF USE THEREOF TOP1, NCL, NOLC1 IDO1 3619/4885NQO2 191/4885NQO1 348/4885
US-12583871-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 IDO1 3383/4885NQO2 596/4885NQO1 1431/4885
US-12552826-B2 PRMT5 inhibitors PRMT5, PRMT6, PRMT1 IDO1 3073/4885NQO2 1852/4885NQO1 2985/4885

“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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