SCHEMBL4782479

SCHEMBL4782479

[O-][n+]1cc2ccccc2c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALPG P10696 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPRT1 P00492 1/20 0.39
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL7896191 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29613269 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL19434734 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4430194 0.73 BAD (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3277941 0.72 ATM (0.31) ATMCYP2A6
Hydrochloric Acid SCHEMBL11496936 0.71 BAD (0.53) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Iodide SCHEMBL4434756 0.71 BAD (0.49) ALDH1A1
SCHEMBL13043235 0.71 KDM4E (0.56) ALDH1A1KDM4ELMNAALPGHPGD
Bromide SCHEMBL1866676 0.71 BAD (0.49) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5051912 0.70 HTT (0.47) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103319694-B Conjugated polymer containing pyrido phenanthridines-5-ketone and preparation method thereof and application 华南理工大学 2016-06-29 CN claimed
CN-103319694-A Conjugated polymer containing pyridinophenanthridine-5-ketone and preparation method and application thereof UNIV SOUTH CHINA TECH 2013-09-25 CN claimed
US-20050187278-A1 Treatment or prevention of vascular disorders with Cox-2 inhibitors in combination with cyclic AMP-specific phosphodiesterase inhibitors PHARMACIA CORPORATION (US) 2005-08-25 US claimed
WO-2005020926-A2 TREATMENT OR PREVENTION OF VASCULAR DISORDERS WITH COX-2 INHIBITORS IN COMBINATION WITH CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PHARMACIA CORPORATION (US) 2005-03-10 WO claimed
CN-119241435-A 6-Trifluoro methylthiophenanthrene Synthesis method of pyridine compound 西北师范大学 2025-01-03 CN disclosed
CN-103319694-B Conjugated polymer containing pyrido phenanthridines-5-ketone and preparation method thereof and application 华南理工大学 2016-06-29 CN disclosed
CN-103319694-A Conjugated polymer containing pyridinophenanthridine-5-ketone and preparation method and application thereof UNIV SOUTH CHINA TECH 2013-09-25 CN disclosed
CN-1980899-B Quinazolinone derivatives as parp inhibitors JANSSEN PHARMACEUTICA NV 2013-07-24 CN disclosed
CN-102206180-B Substituted 6-cyclohexylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA NV 2013-05-29 CN disclosed
CN-1980913-B quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
CN-102206180-A Substituted 6-cyclohexylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA NV 2011-10-05 CN disclosed
CN-1980674-B Phthalazine derivatives as parp inhibitors JANSSEN PHARMACEUTICA NV 2011-05-25 CN disclosed
EP-0682666-A4 2-PHENANTHRIDINYL CARBAPENEM ANTIBACTERIAL AGENTS. MERCK & CO INC (US) 1996-02-21 EP disclosed
EP-0682667-A4 2-PHENANTHRIDINYL CARBAPENEM ANTIBACTERIAL AGENTS. MERCK & CO INC (US) 1996-02-07 EP disclosed
EP-0682667-A1 2-PHENANTHRIDINYL CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1995-11-22 EP disclosed
EP-0682666-A1 2-PHENANTHRIDINYL CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1995-11-22 EP disclosed
US-5336674-A Grampositive bacteria, particularly methicillin-resistant Staphylococcus MERCK & CO., INC. (US) 1994-08-09 US disclosed
WO-1994017066-A1 2-PHENANTHRIDINYL CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-08-04 WO disclosed
WO-1994017065-A1 2-PHENANTHRIDINYL CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-08-04 WO disclosed
US-5328904-A Active against methicillin resistant Staphylococcus MERCK & CO., INC. (US) 1994-07-12 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-20050187278-A1 Treatment or prevention of vascular disorders with Cox-2 inhibitors in combination with cyclic AMP-specific phosphodiesterase inhibitors PDE2A, PDE3A, PDE3B ATM 2492/4885ALDH1A1 987/4885HSD17B10 885/4885

“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.