SCHEMBL84807

SCHEMBL84807

CCCC(=O)NCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.55
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP2D6 P10635 3/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP2 P42575 1/20 0.47
POLB P06746 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
SCHEMBL84809 0.98 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL13661579 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL13462681 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL13661591 0.87 MAPT (0.70) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL21998740 0.87 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL21998662 0.87 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL8587735 0.87 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL21998674 0.87 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL9633481 0.87 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL20900504 0.86 KDM4E (0.57) ALDH1A1KDM4EMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025999-C Imidazo [4,5-B] quinolinyloxyalkanoic acid amides with enhanced water solubility BRISTOL MYERS SQUIBB CO (US) 1994-09-28 CN claimed
CN-1051359-A Improved imidazo [4, the 5-b] quinolinyloxyalkanoic acid amides of water-soluble degree BRISTOL MYERS SQUIBB CO (US) 1991-05-15 CN claimed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2010-11-25 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
CN-1025999-C Imidazo [4,5-B] quinolinyloxyalkanoic acid amides with enhanced water solubility BRISTOL MYERS SQUIBB CO (US) 1994-09-28 CN disclosed
CN-1051359-A Improved imidazo [4, the 5-b] quinolinyloxyalkanoic acid amides of water-soluble degree BRISTOL MYERS SQUIBB CO (US) 1991-05-15 CN 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 (3 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-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 ALDH1A1 3615/4885KDM4E 4486/4885MAPT 1392/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885KDM4E 4443/4885MAPT 1188/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK ALDH1A1 3405/4885KDM4E 1585/4885MAPT 1520/4885

“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.