SCHEMBL440513

SCHEMBL440513

O=C1NC(=O)C(c2ccc(Cn3c(-c4ccccn4)nc4ccccc43)cc2)S1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
CTSD P07339 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GUSB P08236 2/20 0.47
FFAR1 O14842 1/20 0.47
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOS2 P35228 1/20 0.44
GRM2 Q14416 1/20 0.44
BRD4 O60885 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42

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
SCHEMBL443290 0.83 TNF (0.55) HRH3FFAR1PPARA
SCHEMBL443613 0.78 AGTR1 (0.59) FFAR1PPARA
SCHEMBL230485 0.77 ALDH1A1 (0.66) CTSDL3MBTL1GUSBKDM4EALDH1A1
SCHEMBL29411979 0.77 ALDH1A1 (0.66) CTSDL3MBTL1GUSBKDM4EALDH1A1
SCHEMBL445905 0.73 CA2 (0.50) FFAR1PPARAKDM4EALDH1A1HTT
SCHEMBL7808509 0.72 DRD2 (0.69) HRH3CTSDL3MBTL1GUSBKDM4E
SCHEMBL7807909 0.72 KMT2A (0.62) HRH3CTSDL3MBTL1GUSBKDM4E
SCHEMBL8944521 0.71 PPARG (0.63) HRH3CTSDL3MBTL1GUSBKDM4E
SCHEMBL9041351 0.71 GRM2 (0.56) HRH3CTSDL3MBTL1GUSBKDM4E
SCHEMBL28381278 0.70 CTSD (0.60) CTSDL3MBTL1GUSBKDM4EALDH1A1

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 6 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-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-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

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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 HRH3 2702/4885CTSD 2299/4885L3MBTL1 3146/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 HRH3 2702/4885CTSD 2299/4885L3MBTL1 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.