SCHEMBL18548812

SCHEMBL18548812

O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 1.00
ROCK2 O75116 1/20 1.00
TNKS O95271 1/20 1.00
ROCK1 Q13464 1/20 1.00
PARP14 Q460N5 1/20 1.00
PARP10 Q53GL7 1/20 1.00
PARP2 Q9UGN5 1/20 1.00
PARP3 Q9Y6F1 1/20 1.00
KMT2A Q03164 5/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL29696002 1.00 PARP1 (1.00) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL10260277 0.85 ROCK2 (0.73) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL869572 0.79 PARP1 (1.00) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL6224144 0.78 ALDH1A1 (0.73) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL3371602 0.77 PARP1 (0.63) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL9787048 0.75 L3MBTL1 (0.73) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL14297567 0.74 ROCK2 (0.59) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL9644385 0.73 TDP1 (0.65) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL11646427 0.73 ROCK2 (0.57) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL11646129 0.73 ROCK2 (0.57) PARP1ROCK2TNKSROCK1PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106998-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA)-TARGETED POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR AND RELATED COMPOSITION AND METHOD OF USE PURDUE RESEARCH FOUNDATION (US) 2026-05-21 WO claimed
EP-4739310-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) INHIBITOR COMBINATIONS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-05-13 EP claimed
WO-2025007955-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) INHIBITOR COMBINATIONS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2025-01-09 WO claimed
WO-2024217502-A1 METHIONINE ADENOSYLTRANSFERASE 2A (MAT2A) INHIBITOR COMBINATIONS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-10-24 WO claimed
CN-113786409-B Compositions comprising phosphoinositide 3-kinase inhibitors and a second antiproliferative agent 甫康(上海)健康科技有限责任公司 2024-04-02 CN claimed
US-20230123585-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING CANCER USING DEUBIQUITINASE INHIBITORS UNIV CHICAGO (US) 2023-04-20 US claimed
EP-3337477-B1 COMPOSITIONS COMPRISING PHOSPHOINOSITIDE 3-KINASE INHIBITORS AND A SECOND ANTIPROLIFERATIVE AGENT CONVALIFE SHANGHAI CO LTD (CN) 2023-02-01 EP claimed
US-11291669-B2 Compositions comprising phosphoinositide 3-kinase inhibitors and a second antiproliferative agent KARUS THERAPEUTICS LIMITED (GB) 2022-04-05 US claimed
US-11229654-B2 Combination therapy of tetracyclic quinolone analogs for treating cancer SENHWA BIOSCIENCES, INC. (TW) 2022-01-25 US claimed
US-11191770-B2 2021-12-07 US claimed
CN-112334133-A Quinolone analogs and salts thereof, compositions, and methods of use thereof 生华生物科技股份有限公司 2021-02-05 CN claimed
WO-2019168688-A9 QUINOLONE ANALOGS AND THEIR SALTS, COMPOSITIONS, AND METHOD FOR THEIR USE SENHWA BIOSCIENCES, INC. (TW) 2019-11-14 WO claimed
US-20190224209-A1 COMBINATION THERAPY OF TETRACYCLIC QUINOLONE ANALOGS FOR TREATING CANCER SENHWA BIOSCIENCES, INC. (TW) 2019-07-25 US claimed
WO-2026106998-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA)-TARGETED POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR AND RELATED COMPOSITION AND METHOD OF USE PURDUE RESEARCH FOUNDATION (US) 2026-05-21 WO disclosed
US-20260132143-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2026-05-14 US disclosed
EP-4739310-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) INHIBITOR COMBINATIONS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-05-13 EP disclosed
WO-2017105382-A1 CRYSTALLINE FORMS OF QUINOLONE ANALOGS AND THEIR SALTS RYCKMAN DAVID M (US) 2017-06-22 WO disclosed
US-20170166590-A1 CRYSTALLINE FORMS OF QUINOLONE ANALOGS AND THEIR SALTS SENHWA BIOSCIENCES, INC. (TW) 2017-06-15 US disclosed
US-20170143737-A1 COMBINATION THERAPY OF TETRACYCLIC QUINOLONE ANALOGS FOR TREATING CANCER SENHWA BIOSCIENCES, INC. (TW) 2017-05-25 US disclosed
US-20170056336-A1 CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 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 (8 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-11191770-B2 CXCR4, TLR7, CCR7 PARP1 2554/4885ROCK2 1656/4885TNKS 2798/4885
US-20260132143-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF KRAS, NRAS, HRAS PARP1 2339/4885ROCK2 822/4885TNKS 2964/4885
US-20170143737-A1 COMBINATION THERAPY OF TETRACYCLIC QUINOLONE ANALOGS FOR TREATING CANCER CXCR4, CXCR6, TLR7 PARP1 1475/4885ROCK2 2312/4885TNKS 960/4885
US-20190224209-A1 COMBINATION THERAPY OF TETRACYCLIC QUINOLONE ANALOGS FOR TREATING CANCER CXCR4, CXCR6, TLR7 PARP1 1475/4885ROCK2 2312/4885TNKS 960/4885
US-11291669-B2 Compositions comprising phosphoinositide 3-kinase inhibitors and a second antiproliferative agent MCL1, MYC, XIAP PARP1 33/4885ROCK2 1205/4885TNKS 204/4885
US-11229654-B2 Combination therapy of tetracyclic quinolone analogs for treating cancer CXCR4, CXCR6, TLR7 PARP1 1475/4885ROCK2 2312/4885TNKS 960/4885
US-20170166590-A1 CRYSTALLINE FORMS OF QUINOLONE ANALOGS AND THEIR SALTS UACA, SIRT5, TOP1 PARP1 858/4885ROCK2 1796/4885TNKS 1778/4885
US-20170056336-A1 CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, MTOR, RICTOR PARP1 2600/4885ROCK2 2300/4885TNKS 3206/4885

“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.