SCHEMBL5041834

SCHEMBL5041834

O=S(=O)(Nc1c[c]ccc1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.50
PKM P14618 2/20 0.50
MAPT P10636 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL965226 0.85 KEAP1 (0.66) MEN1KMT2ACA1CA2L3MBTL1
SCHEMBL28821888 0.84 UQCRB (0.54) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL3332937 0.84 CA12 (0.65) MEN1KMT2ACA1CA2L3MBTL1
SCHEMBL751419 0.84 CYP19A1 (0.63) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL10774342 0.84 KMT2A (0.65) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL5046841 0.84 HSD17B2 (0.55) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL5046801 0.83 FFAR1 (0.51) MEN1KMT2ACA1CA2MAPT
SCHEMBL3430931 0.83 PGR (0.53) KMT2AALDH1A1MAPTPOLB
SCHEMBL5036917 0.83 UQCRB (0.56) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL5044522 0.81 CYP19A1 (0.55) MEN1KMT2AALDH1A1PKM

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 MEN1 3969/4885KMT2A 3871/4885CA1 3628/4885

“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.