SCHEMBL4135475

SCHEMBL4135475

O=C1c2ccccc2CCc2cc(Cl)ccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.61
MAOB P27338 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
S100A4 P26447 2/20 0.53
MAPK14 Q16539 6/20 0.53
METAP1 P53582 1/20 0.51
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAOA P21397 1/20 0.50
SRD5A1 P18405 4/20 0.49
SRD5A2 P31213 3/20 0.49
HTT P42858 1/20 0.47
AKR1B1 P15121 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
SCHEMBL2601324 0.90 METAP1 (0.60) CES1S100A4METAP1SRD5A1SRD5A2
SCHEMBL6387824 0.89 L3MBTL1 (0.64) CES1MAOBTDP1L3MBTL1S100A4
SCHEMBL4068688 0.88 SRD5A1 (0.55) CES1MAOBS100A4SRD5A1SRD5A2
SCHEMBL10694841 0.85 MAOA (0.67) CES1TDP1L3MBTL1S100A4MAPK14
SCHEMBL29408351 0.82 CES1 (0.90) CES1MAOBTDP1L3MBTL1MAPK14
SCHEMBL44496 0.82 CES1 (0.90) CES1MAOBTDP1L3MBTL1MAPK14
SCHEMBL29437756 0.82 CES1 (0.90) CES1MAOBTDP1L3MBTL1MAPK14
SCHEMBL29669379 0.81 CES1 (0.61) CES1MAOBTDP1L3MBTL1MAPK14
SCHEMBL4040669 0.81 CES1 (0.61) CES1MAOBTDP1L3MBTL1MAPK14
SCHEMBL2312578 0.81 AKR1B1 (0.58) MAOBMAPK14METAP1MAOASRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-06-24 US disclosed
US-10980805-B2 Aza-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2021-04-20 US disclosed
EP-3778603-A1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF Janssen BioPharma, Inc. (US) 2021-02-17 EP disclosed
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 EP disclosed
US-10702523-B2 AZA-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2020-07-07 US disclosed
US-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2020-01-30 US disclosed
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2019-10-17 US disclosed
US-10251882-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-04-09 US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
US-4586996-A Surface hardner for nylon lens TOYO BOSEKI KABUSHIKI KAISHA (JP) 1986-05-06 US disclosed
US-4548933-A Sedative compositions containing 10-piperazino-5-cyanomethylene-dibenzo[a,d]-cycloheptenes BASF AKTIENGESELLSCHAFT (DE) 1985-10-22 US disclosed
EP-0035711-B1 10-SUBSTITUTED-5-CYANOMETHYLENE-DIBENZO-(A,D)CYCLOHEPTENES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-05-09 EP disclosed
US-4447610-A SEDATIVES, TRANQUILIZERS, NEUROLEPTIC AGENTS, MUSCLE RELAXANTS AND ANTIDEPRESSANTS BASF AKTIENGESELLSCHAFT (DE) 1984-05-08 US disclosed
EP-0035711-A2 10-Substituted-5-cyanomethylene-dibenzo-(a,d)cycloheptenes, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 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-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-10251882-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-10702523-B2 AZA-pyridone compounds and uses thereof PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CES1 3213/4885MAOB 145/4885TDP1 965/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CES1 435/4885MAOB 2012/4885TDP1 4121/4885

“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.