SCHEMBL6721053

SCHEMBL6721053

COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.62
MAPT P10636 12/20 0.61
TP53 P04637 2/20 0.61
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.59
POLB P06746 5/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
CYP3A4 P08684 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
PTGS2 P35354 2/20 0.53
HTT P42858 2/20 0.53
CYP2C9 P11712 1/20 0.52

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
SCHEMBL6721054 0.83 MAPT (0.87) THRBMAPTTP53MEN1KMT2A
SCHEMBL14642395 0.82 P2RX3 (0.63) THRBMAPTTP53MEN1KMT2A
SCHEMBL24710840 0.81 MAPT (0.62) THRBMAPTTP53MEN1KMT2A
SCHEMBL24711503 0.80 TP53 (0.61) THRBMAPTTP53MEN1KMT2A
SCHEMBL2251895 0.79 THRB (0.83) THRBMAPTTP53MEN1KMT2A
SCHEMBL4503199 0.79 MAPT (0.62) THRBMAPTTP53TDP1PTGS2
SCHEMBL24711758 0.78 MAPT (0.79) MAPTTP53KMT2AALDH1A1POLB
SCHEMBL9330808 0.77 THRB (0.80) THRBMAPTTP53MEN1KMT2A
SCHEMBL24711216 0.77 TP53 (0.65) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL12981167 0.77 MAPT (0.65) THRBMAPTTP53MEN1KMT2A

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 THRB 2519/4885MAPT 2174/4885TP53 2129/4885

“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.