SCHEMBL6720376

SCHEMBL6720376

O=C(O)c1coc2ccc(Cc3ccccc3)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.61
MAOA P21397 2/20 0.55
HNF4A P41235 1/20 0.50
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
ADORA2B P29275 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.43
MPO P05164 1/20 0.43

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
SCHEMBL6720441 0.89 MAOB (0.53) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720502 0.89 MAOB (0.51) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720394 0.89 MAOB (0.51) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720446 0.89 MAOB (0.51) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720393 0.86 MAOB (0.54) MAOBMAOAALDH1A1TSHRACHE
SCHEMBL11507965 0.83 MAOB (0.56) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL7956495 0.79 MAOB (0.79) MAOBMAOAALDH1A1TSHR
SCHEMBL11510079 0.78 MAOB (0.67) MAOBMAOAHNF4AUSP2ALDH1A1
SCHEMBL30059662 0.77 MAOB (1.00) MAOBMAOAADORA2B
SCHEMBL1253672 0.77 MAOB (1.00) MAOBMAOAADORA2B

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 1235/4885HNF4A 1721/4885

“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.