SCHEMBL2136898

SCHEMBL2136898

CS(=O)(=O)NCc1csc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
CYP19A1 P11511 3/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPRC P08575 1/20 0.35
CNR2 P34972 1/20 0.35
NFATC1 O95644 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13753721 0.74 PTPRC (0.41) KMT2AMAPTPOLBSMN1; SMN2PTPRC
SCHEMBL695137 0.73 KMT2A (0.41) CYP19A1KMT2APOLBCNR2NFATC1
SCHEMBL11537268 0.71 PTPRC (0.39) KMT2AMAPTPTPRCNPSR1
SCHEMBL700564 0.71 PTPRC (0.45) KMT2AMAPTPTPRCNPSR1
SCHEMBL693608 0.71 PTPRC (0.45) KMT2AMAPTPTPRCNPSR1
SCHEMBL2027835 0.70 CA2 (0.60) CYP19A1KMT2AMAPT
SCHEMBL2025801 0.69 CYP2C19 (0.68) CYP19A1KMT2AMAPTPOLBCYP1A2
SCHEMBL14445423 0.69 RPS6KB2 (0.45) KMT2AMAPTPTPRCNPSR1
SCHEMBL31671451 0.69 CYP2C19 (0.68) CYP19A1KMT2AMAPTPOLBCYP1A2
SCHEMBL16465028 0.67 POLB (0.41) KMT2AMAPTPOLBSMN1; SMN2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 XDH 732/4885CYP19A1 4092/4885KMT2A 4259/4885

“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.