SCHEMBL1417726

SCHEMBL1417726

O=C(O)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 9/20 0.58
PARP10 Q53GL7 8/20 0.58
SRD5A1 P18405 4/20 0.54
SRD5A2 P31213 4/20 0.54
GRM5 P41594 3/20 0.54
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
PDPK1 O15530 1/20 0.51
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.47
TDP2 O95551 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
SCHEMBL30337030 1.00 PARP11 (0.58) PARP11PARP10SRD5A1SRD5A2GRM5
SCHEMBL29631237 0.87 PARP10 (0.58) PARP11PARP10SRD5A1SRD5A2PDPK1
SCHEMBL20894239 0.87 PARP10 (0.58) PARP11PARP10SRD5A1SRD5A2PDPK1
SCHEMBL8885387 0.85 PARP11 (0.49) PARP11PARP10SRD5A1SRD5A2GRM5
SCHEMBL30421037 0.85 PARP10 (0.57) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL1727165 0.85 PARP11 (0.72) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL14332678 0.83 SMYD3 (0.58) SRD5A1SRD5A2GRM5KDM4EMAPT
SCHEMBL12810163 0.83 PARP10 (0.54) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL12683051 0.81 PRKACA (0.58) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL30336933 0.81 PRKACA (0.58) PARP11PARP10GRM5PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3706747-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-09-03 EP disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
US-20200354377-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-11-12 US disclosed
EP-3706747-A1 PRMT5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-16 EP disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190270733-A1 Quinoline and Isoquinoline Based HDAC Inhibitors and Methods of Use Thereof GOLUB CAPITAL LLC, AS COLLATERAL AGENT 2019-09-05 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20190270733-A1 Quinoline and Isoquinoline Based HDAC Inhibitors and Methods of Use Thereof HDAC5, HDAC1, HDAC2 PARP11 284/4885PARP10 305/4885SRD5A1 3193/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 PARP11 4072/4885PARP10 3680/4885SRD5A1 766/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 PARP11 1644/4885PARP10 2809/4885SRD5A1 14/4885
US-20200354377-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 PARP11 105/4885PARP10 142/4885SRD5A1 1877/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 PARP11 3934/4885PARP10 3565/4885SRD5A1 511/4885

“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.