SCHEMBL6722241

SCHEMBL6722241

COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3O)n2-c2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
POLB P06746 3/20 0.60
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.52
MDM2 Q00987 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ALPG P10696 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CNR2 P34972 1/20 0.49
RECQL P46063 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL6722242 0.84 POLB (0.66) POLBKDM4ELMNAHTTTP53
SCHEMBL6722078 0.83 POLB (0.73) TSHRPOLBKDM4ELMNAHTT
SCHEMBL6406347 0.82 TSHR (0.68) TSHRLMNATP53ALDH1A1ALPG
SCHEMBL6722154 0.80 ALDH1A1 (0.64) TSHRPOLBKDM4ELMNAHTT
SCHEMBL6403936 0.79 TSHR (0.64) TSHRPOLBTP53ALDH1A1ALPG
SCHEMBL6722297 0.78 KMT2A (0.77) TSHRPOLBKDM4ELMNAHTT
SCHEMBL6722133 0.78 TSHR (0.68) TSHRPOLBKDM4ELMNAHTT
SCHEMBL29598047 0.77 ALPG (0.73) TSHRLMNAHTTTP53ALDH1A1
SCHEMBL6722220 0.76 POLB (0.71) POLBKDM4ELMNAHTTALDH1A1
SCHEMBL6722164 0.76 POLB (1.00) POLBKDM4ELMNAHTTTP53

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 TSHR 4821/4885POLB 26/4885KDM4E 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.