SCHEMBL6721055

SCHEMBL6721055

O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.71
NPC1 O15118 3/20 0.71
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
MAPT P10636 14/20 0.67
THRB P10828 4/20 0.67
KDM4E B2RXH2 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
HSD17B10 Q99714 3/20 0.62
TP53 P04637 3/20 0.62
RXFP1 Q9HBX9 3/20 0.61
POLB P06746 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
GLA P06280 1/20 0.60
HTT P42858 1/20 0.57
TDP1 Q9NUW8 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
SCHEMBL2246778 0.86 MAPT (0.66) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9330808 0.85 THRB (0.80) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2251895 0.84 THRB (0.83) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2245965 0.82 MAPT (0.69) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2246322 0.81 MAPT (0.67) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4499844 0.78 PTGES (0.82) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6721054 0.76 MAPT (0.87) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4522223 0.76 PTGES (0.82) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL12963181 0.76 MAPT (0.76) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6721063 0.76 MAPT (0.67) RAB9ANPC1KMT2AMEN1MAPT

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 RAB9A 3114/4885NPC1 777/4885KMT2A 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.