SCHEMBL6720394

SCHEMBL6720394

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.51
MAOA P21397 3/20 0.50
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TTR P02766 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41

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) MAOBMAOAALDH1A1USP2TSHR
SCHEMBL6720502 0.87 MAOB (0.51) MAOBMAOAALDH1A1USP2TSHR
SCHEMBL6720441 0.87 MAOB (0.53) MAOBMAOANPC1ALDH1A1USP2
SCHEMBL6720446 0.87 MAOB (0.51) MAOBMAOAHTTPTPN1ALDH1A1
SCHEMBL31723115 0.84 MAOB (0.61) MAOBMAOANPC1LMNAMAPT
SCHEMBL6720393 0.84 MAOB (0.54) MAOBMAOANPC1LMNAMAPT
SCHEMBL11507965 0.81 MAOB (0.56) MAOBMAOAMAPTALDH1A1USP2
SCHEMBL23043447 0.76 MAOB (0.61) MAOBMAOAMAPTALDH1A1TTR
SCHEMBL26105385 0.74 MAOA (0.56) MAOBMAOAALDH1A1
SCHEMBL8399450 0.74 NPC1 (0.55) MAOBMAOANPC1LMNAMAPT

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 1235/4885NPC1 777/4885

“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.