SCHEMBL5040342

SCHEMBL5040342

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c[c]ccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
PGR P06401 1/20 0.57
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 1/20 0.55
DDX3X O00571 1/20 0.54
LMNA P02545 1/20 0.52
AR P10275 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
TYMS P04818 1/20 0.51
CYP19A1 P11511 1/20 0.50
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
SCHEMBL5039840 0.86 CA2 (0.68) ALDH1A1CA2CA1MMP1MMP2
SCHEMBL5037028 0.85 ALDH1A1 (0.71) ALDH1A1PGRCA2CA1MMP1
SCHEMBL4101284 0.83 PGR (0.78) ALDH1A1PGRCA2CA1MMP1
SCHEMBL8248683 0.78 ALDH1A1 (0.65) ALDH1A1PGRCA2CA1MMP1
SCHEMBL1024534 0.78 ALDH1A1 (0.65) ALDH1A1PGRCA2CA1MMP1
SCHEMBL15043011 0.78 ALDH1A1 (0.66) ALDH1A1PGRCA2CA1MMP1
SCHEMBL3430931 0.78 PGR (0.53) ALDH1A1PGRKMT2ALMNA
SCHEMBL5040194 0.78 PGR (0.68) ALDH1A1PGRLMNACYP19A1PKM
SCHEMBL5047109 0.78 KMT2A (0.58) ALDH1A1PGRKMT2AMEN1LMNA
SCHEMBL9811664 0.78 POLB (0.68) ALDH1A1PGRCA2CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250325-B1 PHENANTHRIDINE-N-OXIDES NYCOMED GMBH (DE) 2008-05-07 EP disclosed
US-6630483-B2 Phenanthridine-N-oxides ALTANA PHARMA AG (DE) 2003-10-07 US disclosed
US-20030105123-A1 For therapy of respiratory system disorders ALTANA PHARMA AG (DE) 2003-06-05 US disclosed
EP-1250325-A1 PHENANTHRIDINE-N-OXIDES ALTANA Pharma AG (DE) 2002-10-23 EP disclosed
EP-0889886-B1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION ALTANA PHARMA AG (DE) 2002-09-18 EP disclosed
WO-2001051470-A1 PHENANTHRIDINE-N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-07-19 WO disclosed
US-6127378-A A PHOSPHODIESTERASE ENZYME INHIBITOR AS BRONCHIAL THERAPEUTICS, AN ANTIINFLAMMATORY AGENT TREATING ASTHMA PROPHYLAXIS, SKIN DISORDERS, INTESTINE DISORDERS, EYE DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, JOINTS DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-10-03 US disclosed
US-5006445-A High contrast, sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1991-04-09 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-20030105123-A1 For therapy of respiratory system disorders CHRM3, CYP11B1, CYP11B2 ALDH1A1 1029/4885PGR 1707/4885CA2 1920/4885

“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.