SCHEMBL509012

SCHEMBL509012

CCN(CC)C(=O)c1cccc(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.57
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
KEAP1 Q14145 1/20 0.51
HPGD P15428 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 1/20 0.42
TRPA1 O75762 1/20 0.42
HSP90AA1 P07900 2/20 0.41

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
SCHEMBL29381824 0.85 TSHR (0.75) TSHRMAPK1KEAP1HPGDTDP1
SCHEMBL150008 0.85 TSHR (0.75) TSHRMAPK1KEAP1HPGDTDP1
SCHEMBL2568978 0.84 KEAP1 (0.50) TSHRMAPK1ESR1ESR2KEAP1
SCHEMBL23935895 0.84 ESR1 (0.53) TSHRMAPK1ESR1ESR2KEAP1
SCHEMBL2941369 0.84 HPGD (0.56) TSHRMAPK1KEAP1HPGDTDP1
SCHEMBL31276129 0.83 HPGD (0.49) TSHRMAPK1KEAP1HPGDTDP1
SCHEMBL3442880 0.82 ESR1 (0.56) TSHRMAPK1ESR1ESR2KEAP1
SCHEMBL3442604 0.82 KEAP1 (0.49) TSHRMAPK1KEAP1HPGDTDP1
SCHEMBL2571861 0.82 KEAP1 (0.49) TSHRMAPK1KEAP1HPGDTDP1
SCHEMBL4467948 0.82 TSHR (0.54) TSHRMAPK1KEAP1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115473001-B Battery separator, preparation method thereof and battery 江苏中兴派能电池有限公司 2023-08-29 CN claimed
CN-115473001-A Battery diaphragm, preparation method thereof and battery 江苏中兴派能电池有限公司 2022-12-13 CN claimed
CN-115473001-B Battery separator, preparation method thereof and battery 江苏中兴派能电池有限公司 2023-08-29 CN disclosed
CN-115473001-A Battery diaphragm, preparation method thereof and battery 江苏中兴派能电池有限公司 2022-12-13 CN disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
CN-102532020-B 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives REXAHN PHARMACEUTICALS INC 2015-02-25 CN disclosed
WO-2008063548-A2 5, 6, OR 7-SUBSTITUTED-S- (HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
CN-100390164-C Isoquinoline compound and medical application thereof MITSUBISHI PHARMA CORP (JP) 2008-05-28 CN disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 US disclosed
US-7220759-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-05-22 US disclosed
CN-1703410-A Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2005-11-30 CN disclosed
EP-1557414-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-07-27 EP disclosed
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 US disclosed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 TSHR 4527/4885MAPK1 849/4885ESR1 1376/4885
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof NQO1, PARP1, PARP11 TSHR 4858/4885MAPK1 3194/4885ESR1 4868/4885
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 TSHR 4810/4885MAPK1 3198/4885ESR1 4751/4885
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 TSHR 4859/4885MAPK1 3587/4885ESR1 4864/4885

“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.