SCHEMBL7220155

SCHEMBL7220155

Cc1ccc2[nH]c(=O)n(C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.66
LMNA P02545 1/20 0.58
PGR P06401 2/20 0.54
PDE2A O00408 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
MAOB P27338 3/20 0.48
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KCNH2 Q12809 1/20 0.45
BRD4 O60885 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
AURKA O14965 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL3263393 0.85 DAO (0.66) DAOLMNAPGRPDE2APDE3B
SCHEMBL5545573 0.81 GRIA1 (0.57) DAOPDE2APDE3BPDE3ACHRM2
SCHEMBL2522765 0.81 LMNA (0.58) DAOLMNAPGRPDE2APDE3B
SCHEMBL29859942 0.81 LMNA (0.58) DAOLMNAPGRPDE2APDE3B
SCHEMBL23842907 0.79 DAO (0.64) DAOPDE2APDE3BPDE3ACHRM2
SCHEMBL7220153 0.79 LMNA (0.56) DAOLMNAPGRPDE2APDE3B
SCHEMBL12838121 0.79 LMNA (0.56) DAOLMNAPGRPDE2APDE3B
SCHEMBL6770061 0.79 DAO (0.64) DAOLMNAPGRMAOBBRD4
Hydrochloric Acid SCHEMBL19384637 0.79 LMNA (0.56) DAOLMNAPGRPDE2APDE3B
SCHEMBL1519715 0.79 LMNA (0.56) DAOLMNAPGRMAOBBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240134-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-12-14 WO disclosed
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 US disclosed
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 WO disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2020-10-01 US disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
EP-2184272-A1 PIPERAZINE DERIVATIVE Shionogi&Co., Ltd. (JP) 2010-05-12 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-6503898-B1 Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 DAO 4611/4885LMNA 2673/4885PGR 1088/4885
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 DAO 1975/4885LMNA 1766/4885PGR 2642/4885
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 DAO 1856/4885LMNA 3432/4885PGR 2917/4885
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP DAO 1452/4885LMNA 369/4885PGR 734/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 DAO 1975/4885LMNA 1766/4885PGR 2642/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP DAO 1452/4885LMNA 369/4885PGR 734/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 DAO 2007/4885LMNA 4573/4885PGR 1460/4885
US-20230355609-A1 Spirolactone Compounds ACACA, AKR1C2, AKR1A1 DAO 3163/4885LMNA 3974/4885PGR 2244/4885

“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.