SCHEMBL420540

SCHEMBL420540

CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.72
MAPT P10636 10/20 0.72
L3MBTL1 Q9Y468 8/20 0.72
MAPK1 P28482 7/20 0.72
ALDH1A1 P00352 6/20 0.72
HTT P42858 4/20 0.72
TDP1 Q9NUW8 4/20 0.72
POLB P06746 4/20 0.72
LMNA P02545 2/20 0.72
MEN1 O00255 10/20 0.69
NPSR1 Q6W5P4 2/20 0.69
MDM2 Q00987 1/20 0.69
GPR55 Q9Y2T6 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.66
PKM P14618 3/20 0.60
OPRK1 P41145 2/20 0.60
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
GAA P10253 2/20 0.51

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
SCHEMBL3167850 1.00 KMT2A (0.72) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL9525810 0.80 KMT2A (0.47) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL18253196 0.75 KMT2A (0.79) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL16081336 0.75 MAPT (1.00) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL28967911 0.73 KMT2A (0.70) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL28967907 0.73 KMT2A (0.70) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL5463703 0.72 KMT2A (0.48) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL5463701 0.72 KMT2A (0.48) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL9525748 0.70 ALDH1A1 (0.57) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL29183967 0.70 KMT2A (0.85) KMT2AMAPTL3MBTL1MAPK1ALDH1A1

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
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 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 (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-20070123577-A1 Inhibitor of protein modification products formation SERPINB6, PROC, PLPBP KMT2A 2334/4885MAPT 3796/4885L3MBTL1 1078/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MAPT 4131/4885L3MBTL1 3146/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MAPT 4131/4885L3MBTL1 3146/4885

“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.