SCHEMBL4476754

SCHEMBL4476754

O=C(NCc1ccccc1)c1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.62
HPGD P15428 4/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 3/20 0.60
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.51
METAP2 P50579 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 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
SCHEMBL30236290 0.88 KMT2A (0.75) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL19246188 0.88 KMT2A (0.75) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7160222 0.87 HPGD (0.62) NSD2HPGDKMT2AMEN1CYP1A2
SCHEMBL4479111 0.85 HPGD (0.56) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8132911 0.80 TDP1 (0.49) HPGDKMT2AMEN1HTTMAPK1
SCHEMBL9647881 0.79 HPGD (0.72) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL19246212 0.78 HPGD (0.74) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6361018 0.78 HPGD (0.70) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL19246200 0.77 HTT (0.62) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL27903143 0.77 HDAC2 (0.73) NSD2HPGDKMT2AGAALMNA

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 2 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 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 NSD2 639/4885HPGD 225/4885KMT2A 1012/4885

“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.