SCHEMBL307488

SCHEMBL307488

O=c1[nH]ccc2c([N+](=O)[O-])cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TDP1 Q9NUW8 2/20 0.64
PARP1 P09874 8/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.53
PARP15 Q460N3 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RECQL P46063 1/20 0.53
GAA P10253 1/20 0.49
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 1/20 0.45
CTSB P07858 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL30098446 1.00 ALDH1A1 (1.00) ALDH1A1TDP1PARP1KDM4ELMNA
SCHEMBL57166 0.80 TDP1 (1.00) ALDH1A1TDP1PARP1CYP3A4HSD17B10
SCHEMBL29475175 0.80 TDP1 (1.00) ALDH1A1TDP1PARP1CYP3A4HSD17B10
SCHEMBL16099065 0.80 ALDH1A1 (0.65) ALDH1A1TDP1PARP1KDM4ELMNA
SCHEMBL28093598 0.78 TDP1 (0.95) ALDH1A1TDP1PARP1CYP3A4HSD17B10
SCHEMBL15717048 0.78 ALDH1A1 (0.64) ALDH1A1TDP1PARP1KDM4EPOLB
SCHEMBL29471420 0.78 ALDH1A1 (0.64) ALDH1A1TDP1PARP1KDM4ECYP1A2
SCHEMBL28549 0.78 ALDH1A1 (0.64) ALDH1A1TDP1PARP1KDM4ECYP1A2
SCHEMBL22120275 0.76 ALDH1A1 (0.61) ALDH1A1TDP1PARP1KDM4ELMNA
SCHEMBL487276 0.75 ALDH1A1 (0.59) ALDH1A1TDP1PARP1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998051307-A1 METHODS FOR TREATING INFLAMMATION, INFLAMMATORY DISEASES, ARTHRITIS AND STROKE USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 WO claimed
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 US disclosed
EP-4169905-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
WO-2021256899-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
CN-106588765-A Method for hydroxylation of nitrogen oxide C2-position 天津科技大学 2017-04-26 CN disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed
US-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 US disclosed
US-5670518-A ANTITUMOR AGENTS; VIRICIDES OCTAMER, INC. 1997-09-23 US disclosed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO disclosed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO disclosed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP disclosed
US-5262564-A Anticarcinogenic agents OCTAMER, INC. (US) 1993-11-16 US disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 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 (4 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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 ALDH1A1 2328/4885TDP1 2327/4885PARP1 3135/4885
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CLIC1 ALDH1A1 592/4885TDP1 2103/4885PARP1 2414/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 ALDH1A1 2328/4885TDP1 2327/4885PARP1 3135/4885
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT ALDH1A1 1343/4885TDP1 2868/4885PARP1 1043/4885

“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.