SCHEMBL6720446

SCHEMBL6720446

O=C(O)c1coc2ccc(Cc3ccc(F)cc3)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KLKB1 P03952 1/20 0.39
CTSB P07858 1/20 0.39
MMP9 P14780 1/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3B Q9UBC3 1/20 0.39
DNMT3L Q9UJW3 1/20 0.39

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
SCHEMBL6720376 0.89 MAOB (0.61) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720441 0.87 MAOB (0.53) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720394 0.87 MAOB (0.51) MAOBMAOAHTTPTPN1USP2
SCHEMBL6720502 0.87 MAOB (0.51) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL4576015 0.84 MAOB (0.61) MAOBMAOAKDM4EHTTPTPN1
SCHEMBL6720393 0.84 MAOB (0.54) MAOBMAOAALDH1A1TSHRKMT2A
SCHEMBL6720550 0.82 MAOB (0.43) MAOBMAOAKDM4EHTTPTPN1
SCHEMBL11507965 0.81 MAOB (0.56) MAOBMAOAUSP2ALDH1A1TSHR
SCHEMBL6720456 0.80 MAOB (0.38) MAOBMAOAKDM4EMEN1KMT2A
SCHEMBL6720467 0.76 MAOB (0.39) MAOBMAOATSHRMEN1KMT2A

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 1235/4885KDM4E 1795/4885

“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.