SCHEMBL18158938

SCHEMBL18158938

CN[C@@H](CSSc1ncc(C(C)=O)cc1[N+](=O)[O-])C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
PDE7A Q13946 1/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HCAR3 P49019 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL18158939 0.74 PSMD14 (0.38) SMN1; SMN2MAPTMEN1ALDH1A1KMT2A
SCHEMBL14281320 0.73 MEN1 (0.43) SMN1; SMN2MAPTPOLBL3MBTL1MAPK1
SCHEMBL14281301 0.69 KMT2A (0.46) SMN1; SMN2MAPTPOLBL3MBTL1MAPK1
SCHEMBL13755332 0.69 KMT2A (0.46) SMN1; SMN2MAPTPOLBL3MBTL1MAPK1
SCHEMBL17111550 0.65 MAPT (0.50) SMN1; SMN2PDE7AMAPTPOLBL3MBTL1
SCHEMBL12709581 0.64 PDE7A (0.43) SMN1; SMN2PDE7AMAPTPOLBL3MBTL1
SCHEMBL1625709 0.64 MAPT (0.44) PDE7AMAPTPOLBL3MBTL1MAPK1
SCHEMBL18158922 0.63 PSMD14 (0.42) SMN1; SMN2MAPTPOLBMAPK1MEN1
SCHEMBL13402976 0.63 POLB (0.43) SMN1; SMN2MAPTPOLBMAPK1MEN1
SCHEMBL29859154 0.62 TSHR (0.47) SMN1; SMN2MAPTALDH1A1HCAR3LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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 (1 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 SMN1; SMN2 4755/4885PDE7A 1440/4885MAPT 3717/4885

“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.