SCHEMBL6720384

SCHEMBL6720384

O=C(O)c1coc2ccc(Oc3ccccc3)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.61
MAOA P21397 2/20 0.58
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 2/20 0.56
POLB P06746 2/20 0.56
ACHE P22303 2/20 0.56
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6720375 0.83 MAOB (0.69) MAOBMAOARAB9AL3MBTL1NPC1
SCHEMBL11362721 0.82 NPC1 (0.62) MAOBMAOARAB9AL3MBTL1NPC1
SCHEMBL7956495 0.82 MAOB (0.79) MAOBMAOAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL11510079 0.78 MAOB (0.67) MAOBMAOAACHEALDH1A1
SCHEMBL4576015 0.78 MAOB (0.61) MAOBMAOAKMT2AMEN1ALDH1A1
SCHEMBL28945801 0.78 MAOB (0.51) MAOBMAOARAB9AL3MBTL1NPC1
SCHEMBL1253672 0.77 MAOB (1.00) MAOBMAOA
SCHEMBL30059662 0.77 MAOB (1.00) MAOBMAOA
SCHEMBL6720376 0.75 MAOB (0.61) MAOBMAOAACHEALDH1A1
SCHEMBL11513004 0.75 MAOB (0.67) MAOBMAOARAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAOB 1441/4885MAOA 1235/4885RAB9A 3114/4885

“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.