SCHEMBL443581

SCHEMBL443581

CC1=NN(c2ccccc2)C(=O)C1(O)S(=O)(=O)O.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 6/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LOX P28300 2/20 0.39
LOXL3 P58215 1/20 0.39

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
SCHEMBL419794 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL443580 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL420793 0.73 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL11047547 0.71 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL28585189 0.70 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL16091682 0.70 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL14886856 0.70 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL4663181 0.69 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL18770503 0.69 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL22678264 0.69 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAAMAPTMEN1

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 SMN1; SMN2 4473/4885ALDH1A1 240/4885GAA 833/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 SMN1; SMN2 4473/4885ALDH1A1 240/4885GAA 833/4885

“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.