SCHEMBL6721119

SCHEMBL6721119

O=C(O)c1cccc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.69
▸ MAPT P10636 8/20 0.69
▸ POLB P06746 8/20 0.69
▸ L3MBTL1 Q9Y468 7/20 0.69
▸ GAA P10253 4/20 0.69
▸ ALDH1A1 P00352 5/20 0.59
▸ TDP1 Q9NUW8 5/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ G6PD P11413 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ NPC1 O15118 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ LDHA P00338 6/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.54
▸ BIRC5 O15392 1/20 0.51
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL12754141 0.85 GAA (0.50) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL12507664 0.77 RAB9A (0.46) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL6721172 0.76 MAPT (0.78) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL12416588 0.76 MAPT (0.51) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL6721165 0.76 KDM4E (0.66) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL6721123 0.75 MAPT (0.58) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL6721122 0.75 MAPT (0.98) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL19420133 0.74 MAPT (0.76) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL14104213 0.74 MAPT (0.57) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL6420375 0.73 BIRC5 (0.70) KDM4EMAPTPOLBL3MBTL1GAA

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 KDM4E 1795/4885MAPT 2174/4885POLB 26/4885

“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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