SCHEMBL6721444

SCHEMBL6721444

O=C(O)c1cc(-c2ccc(/C=N/Nc3nc4nonc4nc3Nc3cccc(Br)c3)o2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.55
MAPT P10636 10/20 0.44
KDM4E B2RXH2 10/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 7/20 0.44
GAA P10253 5/20 0.44
HPGD P15428 3/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
HAO1 Q9UJM8 2/20 0.43
POLB P06746 10/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
RECQL P46063 2/20 0.42
NSD2 O96028 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL13310267 1.00 BIRC5 (0.55) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL8264937 0.86 BIRC5 (0.53) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6418352 0.84 BIRC5 (0.60) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6415138 0.83 KDM4E (0.60) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6415129 0.83 KDM4E (0.60) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6436845 0.83 KDM4E (0.61) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6436849 0.83 KDM4E (0.61) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6416003 0.82 MEN1 (0.61) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6422200 0.80 KDM4E (0.62) BIRC5MAPTKDM4EMEN1KMT2A
SCHEMBL6422197 0.80 KDM4E (0.62) BIRC5MAPTKDM4EMEN1KMT2A

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 BIRC5 1554/4885MAPT 2174/4885KDM4E 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.