SCHEMBL6721437

SCHEMBL6721437

COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.79
▸ MEN1 O00255 12/20 0.79
▸ KMT2A Q03164 12/20 0.79
▸ THRB P10828 4/20 0.79
▸ POLB P06746 12/20 0.67
▸ CTDSP1 Q9GZU7 1/20 0.67
▸ TP53 P04637 10/20 0.66
▸ CRHBP P24387 1/20 0.65
▸ CRHR2 Q13324 1/20 0.65
▸ SMN1; SMN2 Q16637 7/20 0.62
▸ KDM4E B2RXH2 7/20 0.62
▸ RAB9A P51151 6/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ RECQL P46063 5/20 0.62
▸ LMNA P02545 4/20 0.62
▸ TDP1 Q9NUW8 4/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ BLM P54132 4/20 0.59
▸ XBP1 P17861 1/20 0.56

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
SCHEMBL6721415 0.89 MAPT (1.00) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL12127306 0.85 MAPT (0.69) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL6721420 0.78 MAPT (0.80) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL12351248 0.77 MAPT (1.00) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL6721418 0.75 MAPT (0.79) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL6721369 0.75 MAPT (0.82) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL6721359 0.75 MAPT (0.81) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL6721389 0.75 MAPT (1.00) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL16229980 0.74 MAPT (0.66) MAPTMEN1KMT2ATHRBPOLB
SCHEMBL14581052 0.71 MAPT (0.65) MAPTMEN1KMT2ATHRBPOLB

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 MAPT 2174/4885MEN1 4601/4885KMT2A 1477/4885

“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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