SCHEMBL357928

SCHEMBL357928

CCc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.55
MAPK1 P28482 3/20 0.55
TSHR P16473 1/20 0.55
VCAM1 P19320 1/20 0.51
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE7A Q13946 4/20 0.46
PDE7B Q9NP56 3/20 0.46
KIF18A Q8NI77 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL992133 0.86 PDK1 (0.50) PDK1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL365653 0.86 USP7 (0.51) PDK1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL2949639 0.85 TSHR (0.60) PDK1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL67686 0.85 ALDH1A1 (0.58) MAPK1TSHRVCAM1ALDH1A1POLB
SCHEMBL6973314 0.83 NPC1 (0.50) PDK1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL2112011 0.83 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1POLB
SCHEMBL29495064 0.83 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1POLB
SCHEMBL67536 0.83 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1NPSR1
SCHEMBL28859046 0.83 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1POLB
SCHEMBL1509585 0.83 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641887-B Thiazole derivatives useful as mutant IDH1 inhibitors for the treatment of cancer 美国政府健康及人类服务部 2022-09-20 CN disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 CN disclosed
EP-3475276-B1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER US HEALTH (US) 2021-03-31 EP disclosed
US-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-11-17 US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-10479778-B2 Substituted pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-11-19 US disclosed
US-10479779-B2 Substituted pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-11-19 US disclosed
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2019-08-08 US disclosed
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 CN disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
EP-1617807-A4 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
EP-1712235-A2 Combinational therapy involving a small molecule inhibitor of the MDM2: P53 interaction Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 EP disclosed
US-7115598-B2 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-10-03 US disclosed
EP-1617807-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF Ortho-McNeil Pharmaceuticals, Inc. (US) 2006-01-25 EP disclosed
WO-2004096134-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
US-20040220179-A1 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-04 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 (7 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-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer IDH1, IDH2, IDH3B PDK1 751/4885MAPK1 1175/4885TSHR 1897/4885
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER IDH1, IDH2, IDH3B PDK1 751/4885MAPK1 1175/4885TSHR 1897/4885
US-10479779-B2 Substituted pyrroles active as kinases inhibitors JAK2, JAK1, JAK3 PDK1 110/4885MAPK1 242/4885TSHR 3959/4885
US-20040220179-A1 Substituted 1,4-diazepines and uses thereof TP53, MDM2, HRH2 PDK1 1577/4885MAPK1 3747/4885TSHR 1587/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PDK1 576/4885MAPK1 313/4885TSHR 2294/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A PDK1 94/4885MAPK1 1759/4885TSHR 4167/4885
US-10479778-B2 Substituted pyrroles active as kinases inhibitors JAK2, JAK1, JAK3 PDK1 110/4885MAPK1 242/4885TSHR 3959/4885

“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.