SCHEMBL5046668

SCHEMBL5046668

O=S(=O)(Nc1cc[c]cc1)c1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.73
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
PKM P14618 1/20 0.60
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL3756876 0.85 PGR (1.00) PGRLMNAMAPTTDP1PKM
SCHEMBL5040194 0.83 PGR (0.68) PGRLMNAMAPTTDP1PKM
SCHEMBL28400969 0.82 PGR (0.76) PGRLMNAMAPTTDP1PKM
SCHEMBL5041089 0.81 KMT2A (0.68) PGRLMNAMAPTHDAC1HDAC8
SCHEMBL5044902 0.81 PGR (0.61) PGRPKMHDAC2HDAC8HDAC6
SCHEMBL28770134 0.81 POLB (0.73) PGRLMNAPKMALDH1A1
SCHEMBL97999 0.81 PGR (0.73) PGRLMNAMAPTTDP1PKM
SCHEMBL7181313 0.81 PGR (0.73) PGRLMNAMAPTTDP1PKM
SCHEMBL5040088 0.81 PGR (0.61) PGRLMNAMAPTHDAC3HDAC4
SCHEMBL28121847 0.81 PGR (0.73) PGRLMNAMAPTTDP1PKM

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 7 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

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 PGR 1707/4885LMNA 2520/4885MAPT 4639/4885

“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.