SCHEMBL2835948

SCHEMBL2835948

COc1ccc(C(N)=O)c(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.55
PARP10 Q53GL7 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
RAD52 P43351 1/20 0.52
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.47

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
SCHEMBL7016460 0.90 SMN1; SMN2 (0.57) PARP1PARP10CA1CA2PARP2
SCHEMBL3277227 0.90 ALDH1A1 (0.62) PARP1PARP10CA1CA2PARP2
SCHEMBL1807116 0.86 PARP1 (0.53) PARP1PARP10CA1CA2PARP2
SCHEMBL7456188 0.86 MTNR1A (0.54) PARP1PARP10CA1CA2PARP2
SCHEMBL16495950 0.86 CA1 (0.51) PARP1PARP10CA1CA2PARP2
SCHEMBL551750 0.84 NPC1 (0.56) PARP1PARP10CA1CA2PARP2
SCHEMBL1807278 0.84 PARP1 (0.52) PARP1PARP10CA1CA2PARP2
SCHEMBL1034025 0.84 ALDH1A1 (0.68) PARP10CA1CA2NPC1RAB9A
SCHEMBL3343162 0.84 PARP1 (0.52) PARP1PARP10CA1CA2PARP2
SCHEMBL2855495 0.84 KDM4E (0.55) PARP1PARP10CA1CA2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111004188-B NS3/4A protease inhibitor intermediate, and synthetic method and application thereof 安徽红杉生物医药科技有限公司 2021-04-20 CN claimed
CN-111004188-A NS3/4A protease inhibitor intermediate, and synthetic method and application thereof 安徽红杉生物医药科技有限公司 2020-04-14 CN claimed
CN-117538404-A Annular RNA detection method based on capillary gel electrophoresis 杭州明德生物医药技术有限公司 2024-02-09 CN disclosed
CN-111004188-B NS3/4A protease inhibitor intermediate, and synthetic method and application thereof 安徽红杉生物医药科技有限公司 2021-04-20 CN disclosed
CN-111004188-A NS3/4A protease inhibitor intermediate, and synthetic method and application thereof 安徽红杉生物医药科技有限公司 2020-04-14 CN disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
EP-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
EP-1174428-B1 Process for the preparation of uretdione polyisocyanates with improved monomer stability BAYER AG (DE) 2003-10-29 EP disclosed
US-6444778-B1 DIISOCYANATES DIMERIZED USING TERTIARY PHOSPHINE CATALYST AND UREA OR AMIDE STABILIZERS; HIGH TEMPERATURE STORAGE STABLE CROSSLINKER FOR TWO-COMPONENT POLYURETHANE COATINGS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-20020028930-A1 Process for the production of uretdione polyisocyanates with improved monomer stability BAYER AKTEINGESELLSCHAFT (DE) 2002-03-07 US disclosed
EP-1174428-A2 Process for the preparation of uretdione polyisocyanates with improved monomer stability Bayer Aktiengesellschaft (DE) 2002-01-23 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 (3 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 PARP1 2800/4885PARP10 3318/4885CA1 668/4885
US-20020028930-A1 Process for the production of uretdione polyisocyanates with improved monomer stability UROD, PUF60, UFM1 PARP1 653/4885PARP10 375/4885CA1 4043/4885
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 PARP1 988/4885PARP10 3112/4885CA1 2172/4885

“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.