SCHEMBL13623003

SCHEMBL13623003

Nc1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.82
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.58
CA2 P00918 4/20 0.55
CA1 P00915 2/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
ALDH1A1 P00352 1/20 0.53
CA5A P35218 1/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
Hydrochloric Acid SCHEMBL1025050 0.99 CYP19A1 (0.81) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4349159 0.87 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL30075076 0.87 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL28156592 0.85 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4661602 0.84 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL12813074 0.81 CYP19A1 (0.77) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5039039 0.81 CYP19A1 (0.76) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL1025692 0.80 CYP19A1 (0.70) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5034929 0.80 CYP19A1 (0.74) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL22489899 0.80 CYP19A1 (0.73) CYP19A1CYP1A2CYP3A4CYP2C19KMT2A

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP19A1 2565/4885CYP1A2 3183/4885CYP3A4 3025/4885

“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.