SCHEMBL6697675

SCHEMBL6697675

COCOc1cccc(C2Cn3cc(C(=O)NCc4ccc(Cl)cc4)c(=S)c4cc(CN5CCOCC5)cc(c43)O2)c1OCOC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.46
KCNH2 Q12809 7/20 0.43
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.37
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6697667 0.94 POLA1 (0.47) POLA1KCNH2TSHRADORA2AENPP2
SCHEMBL6697254 0.93 POLA1 (0.54) POLA1KCNH2TSHRADORA2AENPP2
SCHEMBL6702311 0.87 POLA1 (0.56) POLA1KCNH2TSHRADORA2AENPP2
SCHEMBL6698615 0.87 POLA1 (0.46) POLA1KCNH2TSHRENPP2ALDH1A1
SCHEMBL6698549 0.87 POLA1 (0.48) POLA1KCNH2TSHRENPP2ALDH1A1
SCHEMBL6694752 0.85 POLA1 (0.50) POLA1KCNH2TSHRENPP2ALDH1A1
SCHEMBL6699708 0.84 POLA1 (0.46) POLA1KCNH2TSHRADORA2AENPP2
SCHEMBL6701194 0.84 POLA1 (0.49) POLA1KCNH2TSHRENPP2ALDH1A1
SCHEMBL6698621 0.84 POLA1 (0.48) POLA1KCNH2TSHRENPP2ALDH1A1
SCHEMBL6701093 0.83 POLA1 (0.47) POLA1KCNH2ENPP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US claimed
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP claimed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US claimed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US disclosed
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP disclosed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US disclosed
EP-1299395-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2002004462-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO 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 (2 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 POLA1 2550/4885KCNH2 4383/4885TSHR 2849/4885
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections ZC3HAV1, RPL5, ZC3HAV1L POLA1 111/4885KCNH2 964/4885TSHR 4826/4885

“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.