SCHEMBL420541

SCHEMBL420541

CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N2CCC(Cl)=N2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.57
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
MDM2 Q00987 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
KLKB1 P03952 1/20 0.53
CTSB P07858 1/20 0.53
NSD2 O96028 1/20 0.50
POLB P06746 1/20 0.50
HSPA1A P0DMV8 1/20 0.50
TNNI3 P19429 1/20 0.50
GRK2 P25098 1/20 0.50
DNMT1 P26358 1/20 0.50
TNNT2 P45379 1/20 0.50

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
SCHEMBL446468 1.00 KAT8 (0.57) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL245319 0.77 KMT2A (0.66) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL245318 0.77 KMT2A (0.66) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL22523764 0.77 KMT2A (0.80) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL14255643 0.76 KAT8 (0.66) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL420585 0.75 KMT2A (0.72) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL12417244 0.74 KAT8 (0.66) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL22523768 0.74 KAT8 (0.78) KAT8MEN1KMT2AMAPTNPSR1
SCHEMBL29045581 0.73 KMT2A (0.76) KAT8MEN1KMT2AMAPTALDH1A1
SCHEMBL12691864 0.73 KAT8 (1.00) KAT8MEN1KMT2AMAPTALDH1A1

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 17 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-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
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP 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-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
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP 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-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
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
EP-1693369-A1 PROTEIN MODIFIER PRODUCTION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-23 EP 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 KAT8 2951/4885MEN1 1277/4885KMT2A 2334/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KAT8 2833/4885MEN1 4818/4885KMT2A 1703/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KAT8 2833/4885MEN1 4818/4885KMT2A 1703/4885

“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.