SCHEMBL6721026

SCHEMBL6721026

Cc1c(C(c2ccc(O)c(O)c2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
ALDH1A1 P00352 4/20 0.73
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 3/20 0.67
LMNA P02545 2/20 0.67
ADORA3 P0DMS8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL6720188 0.83 MEN1 (0.81) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11313942 0.82 LMNA (0.81) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL3162482 0.80 MEN1 (0.76) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11308686 0.80 KMT2A (1.00) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11305593 0.80 GAA (0.81) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3157213 0.78 ALDH1A1 (1.00) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3144217 0.76 MEN1 (0.69) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11306629 0.76 LMNA (0.81) GAAALDH1A1MEN1KMT2AMAPT
Propyphenazone SCHEMBL23393 0.76 LMNA (1.00) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL3152146 0.75 ALDH1A1 (0.76) GAAL3MBTL1ALDH1A1MEN1KMT2A

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 GAA 67/4885L3MBTL1 217/4885ALDH1A1 265/4885

“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.