SCHEMBL4569820

SCHEMBL4569820

CC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.58
KDM4E B2RXH2 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC5A1 P13866 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL2157723 0.92 NPSR1 (0.50) NPSR1KDM4ERXFP1MEN1KMT2A
SCHEMBL2158693 0.84 PTPN1 (0.60) NPSR1KDM4ERXFP1MEN1KMT2A
SCHEMBL3814765 0.84 MEN1 (0.44) NPSR1KDM4ERXFP1MEN1KMT2A
SCHEMBL2158090 0.81 MEN1 (0.50) NPSR1KDM4ERXFP1MEN1KMT2A
SCHEMBL2158495 0.80 NPSR1 (0.57) NPSR1KDM4ERXFP1
SCHEMBL2157725 0.80 NPSR1 (0.56) NPSR1KDM4ERXFP1
SCHEMBL6426603 0.79 NPSR1 (0.60) NPSR1KDM4ERXFP1
SCHEMBL2158232 0.78 NPSR1 (0.61) NPSR1KDM4ERXFP1
SCHEMBL2157697 0.78 NPSR1 (0.55) NPSR1KDM4ERXFP1
SCHEMBL2157751 0.78 NPSR1 (0.53) NPSR1KDM4ERXFP1

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-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 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-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 NPSR1 10/4885KDM4E 3848/4885RXFP1 27/4885

“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.