SCHEMBL6720919

SCHEMBL6720919

Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ TDP1 Q9NUW8 4/20 1.00
▸ POLB P06746 3/20 1.00
▸ BLM P54132 2/20 1.00
▸ MAPT P10636 2/20 1.00
▸ L3MBTL1 Q9Y468 2/20 1.00
▸ PKM P14618 1/20 1.00
▸ APEX1 P27695 1/20 1.00
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ HPGD P15428 1/20 0.76
▸ HTT P42858 1/20 0.76
▸ BCHE P06276 5/20 0.52
▸ LDHA P00338 1/20 0.51

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
SCHEMBL28576902 0.78 BCHE (0.82) MAPTBCHE
SCHEMBL6721171 0.75 MAPT (1.00) KDM4EALDH1A1TDP1POLBBLM
SCHEMBL16102580 0.74 BCHE (0.64) KDM4EALDH1A1TDP1POLBBLM
SCHEMBL16102578 0.74 BCHE (0.64) KDM4EALDH1A1TDP1POLBBLM
SCHEMBL1901750 0.72 BCHE (0.75) KDM4EMAPTBCHE
SCHEMBL1387066 0.72 KDM4E (0.80) KDM4EALDH1A1MAPTHTT
SCHEMBL28787628 0.72 MAPT (0.82) MAPTBCHE
SCHEMBL28787664 0.71 MAPT (0.85) MAPTBCHE
SCHEMBL29728191 0.71 MAPT (0.85) MAPTBCHE
SCHEMBL5521696 0.71 KDM4E (0.75) KDM4EMAPTBCHE

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 2 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-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 KDM4E 1795/4885ALDH1A1 265/4885TDP1 15/4885

“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.

Send feedback