SCHEMBL6721054

SCHEMBL6721054

COc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc(OC)c1OC

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.87
TP53 P04637 5/20 0.87
THRB P10828 4/20 0.87
HSD17B10 Q99714 8/20 0.69
HPGD P15428 6/20 0.69
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 5/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
HTT P42858 1/20 0.69
POLB P06746 2/20 0.68
TSHR P16473 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
NPSR1 Q6W5P4 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 3/20 0.63
USP2 O75604 1/20 0.57
STAT3 P40763 1/20 0.57

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
SCHEMBL13679544 0.89 MAPT (0.79) MAPTTP53THRBHSD17B10HPGD
SCHEMBL2251895 0.84 THRB (0.83) MAPTTP53THRBHSD17B10HPGD
SCHEMBL6721053 0.83 THRB (0.62) MAPTTP53THRBHSD17B10HPGD
SCHEMBL9330808 0.81 THRB (0.80) MAPTTP53THRBHSD17B10HPGD
SCHEMBL2245965 0.80 MAPT (0.69) MAPTTP53THRBHSD17B10HPGD
SCHEMBL6721063 0.78 MAPT (0.67) MAPTTP53THRBHSD17B10HPGD
SCHEMBL14642398 0.77 MAPT (0.78) MAPTTP53THRBHSD17B10HPGD
SCHEMBL2246322 0.77 MAPT (0.67) MAPTTP53THRBHSD17B10HPGD
SCHEMBL6721055 0.76 RAB9A (0.71) MAPTTP53THRBHSD17B10HPGD
SCHEMBL8964777 0.76 KDM6B (0.61) MAPTTP53THRBHSD17B10HPGD

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 2174/4885TP53 2129/4885THRB 2519/4885

“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.