SCHEMBL1028583

SCHEMBL1028583

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.73
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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
SCHEMBL1028585 1.00 CYP19A1 (0.73) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13622999 0.84 CYP19A1 (0.64) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4349159 0.84 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL30075076 0.84 CYP19A1 (0.86) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL27179620 0.83 CASP3 (0.68) CYP19A1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30926797 0.83 CASP3 (0.68) CYP19A1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1025444 0.82 CASP3 (0.67) MEN1KMT2AALDH1A1L3MBTL1CA1
SCHEMBL1025441 0.82 CASP3 (0.67) MEN1KMT2AALDH1A1L3MBTL1CA1
SCHEMBL4661602 0.81 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL13623003 0.80 CYP19A1 (0.82) CYP19A1CYP1A2CYP3A4CYP2C19MEN1

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 4 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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.