SCHEMBL6721154

SCHEMBL6721154

O=C(O)c1ccc(-c2ccc(/C=N/Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.58
▸ MAPT P10636 6/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ GAA P10253 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DDX3X O00571 3/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HSP90AA1 P07900 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
SCHEMBL12717686 0.85 GAA (0.61) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL6721165 0.84 KDM4E (0.66) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL12417184 0.79 DDX3X (0.56) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL6721130 0.79 MAPT (0.64) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL8241062 0.79 MAPT (0.56) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL8241963 0.77 MAPT (0.57) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL8232030 0.76 MAPT (0.56) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL12417202 0.73 MAPT (0.62) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL6436845 0.72 KDM4E (0.61) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL6436849 0.72 KDM4E (0.61) MAPTKDM4EGAAMEN1KMT2A

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 CTSL 659/4885MAPT 2174/4885KDM4E 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.

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