SCHEMBL4171472

SCHEMBL4171472

COc1ccccc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
DRD2 P14416 4/20 0.61
HTR1A P08908 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
DRD4 P21917 3/20 0.60
TSHR P16473 1/20 0.60
DRD3 P35462 2/20 0.60
MAPT P10636 1/20 0.59
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRB3 P13945 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL5796448 0.87 KDM4E (0.70) KDM4EALDH1A1TDP1DRD2HTR1A
SCHEMBL5485622 0.86 HTR1A (0.73) KDM4EALDH1A1TDP1DRD2HTR1A
Hydrochloric Acid SCHEMBL1375643 0.86 ALDH1A1 (0.69) KDM4EALDH1A1TDP1DRD2HTR1A
SCHEMBL4171468 0.86 ALDH1A1 (0.65) KDM4EALDH1A1TDP1DRD2HTR1A
SCHEMBL3188003 0.85 ALDH1A1 (0.71) KDM4EALDH1A1TDP1DRD2HTR1A
Hydrochloric Acid SCHEMBL11047857 0.85 HTR1A (0.71) KDM4EALDH1A1TDP1DRD2HTR1A
SCHEMBL5796341 0.85 MAPT (0.65) KDM4EALDH1A1TDP1DRD2MEN1
Hydrochloric Acid SCHEMBL3196115 0.84 HTR1A (0.71) KDM4EALDH1A1TDP1DRD2HTR1A
SCHEMBL6956822 0.84 KDM4E (0.72) KDM4EALDH1A1TDP1DRD2HTR1A
SCHEMBL7775626 0.83 HTR1A (0.77) KDM4EALDH1A1TDP1DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO disclosed
EP-0213326-B1 2,5-DIMETHYL PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1991-03-06 EP disclosed
US-4966901-A FOR TREATMENT OF ALZHEIMER*S DISEASE, LEARNING OR MEMORY PROBLEMS CASSELLA AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0346683-A1 Pyrrole derivatives, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1989-12-20 EP disclosed
US-4837225-A ENCEPHALOTROPIC AND PSYCHOTROPIC EFFECTS CASSELL AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0287988-A2 Pyrrole aldehydes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1988-10-26 EP disclosed
EP-0213326-A1 2,5-Dimethyl pyrrole derivatives, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1987-03-11 EP disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 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 (2 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT KDM4E 1872/4885ALDH1A1 357/4885TDP1 3476/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 KDM4E 4278/4885ALDH1A1 706/4885TDP1 4243/4885

“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.