SCHEMBL4494199

SCHEMBL4494199

O=[N+]([O-])c1cccc(CNS(=O)(=O)c2cccc3c(O)cccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
NSD2 O96028 3/20 0.47
FABP4 P15090 1/20 0.45
PTPN1 P18031 1/20 0.45
DDX3X O00571 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4483894 0.88 CA2 (0.55) CYP19A1NSD2
SCHEMBL4445436 0.86 NSD2 (0.67) CYP19A1CYP1A2CYP3A4CYP2C19NSD2
Hydrochloric Acid SCHEMBL4448157 0.85 NSD2 (0.67) CYP19A1CYP1A2CYP3A4CYP2C19NSD2
SCHEMBL4444916 0.82 CYP1A2 (0.55) CYP19A1CYP1A2CYP3A4CYP2C19NSD2
SCHEMBL4480958 0.81 CYP19A1 (0.66) CYP19A1CYP1A2CYP3A4CYP2C19DDX3X
SCHEMBL4483905 0.81 NSD2 (0.69) NSD2MCL1
SCHEMBL4472775 0.80 NSD2 (0.58) CYP19A1NSD2FABP4MCL1
SCHEMBL4477881 0.80 NSD2 (0.51) NSD2FABP4MCL1
SCHEMBL4470448 0.80 NSD2 (0.57) CYP19A1NSD2FABP4MEN1KMT2A
SCHEMBL4483089 0.77 CYP2C19 (0.65) CYP19A1CYP1A2CYP3A4CYP2C19FABP4

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-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US claimed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 US claimed
US-7598418-B2 Naphthalene-1-(sulfonamide or carboxamide) derivatives; e.g. N-Benzyl-5-{[(4-methylphenyl)sulfonyl]oxy}naphthalene-1-sulfonamide; protein kinase inhibitors sensitize cancer cells to radiotherapy or anticancer agents; side effect reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-10-06 US disclosed
US-20050215645-A1 Amide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2005-09-29 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-20050215645-A1 Amide derivatives OGG1, HDAC1, BCL2A1 CYP19A1 552/4885CYP1A2 2887/4885CYP3A4 4348/4885

“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.