SCHEMBL6720913

SCHEMBL6720913

O=C(N/N=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)c1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.75
▸ POLB P06746 7/20 0.75
▸ ALDH1A1 P00352 4/20 0.75
▸ LDHA P00338 4/20 0.75
▸ L3MBTL1 Q9Y468 3/20 0.75
▸ HPGD P15428 1/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ PSMD14 O00487 1/20 0.65
▸ APAF1 O14727 1/20 0.56
▸ GAA P10253 2/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ PABPC1 P11940 1/20 0.54
▸ CTSL P07711 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MCL1 Q07820 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
SCHEMBL6721166 0.86 MAPT (1.00) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL13496985 0.81 MAPT (0.80) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL18153643 0.81 MAPT (0.80) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL29264529 0.78 MAPT (1.00) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL30307761 0.78 MAPT (1.00) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL6721164 0.77 ALDH1A1 (0.67) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL6721172 0.74 MAPT (0.78) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL13567515 0.73 ALDH1A1 (0.73) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL1435725 0.73 ALDH1A1 (0.73) MAPTPOLBALDH1A1LDHAL3MBTL1
SCHEMBL1435729 0.73 ALDH1A1 (0.73) MAPTPOLBALDH1A1LDHAL3MBTL1

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 6 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-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — 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 (2 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-20100035932-A1 NOVEL FORMYL PEPTIDE RECEPTOR LIKE 1 AGONISTS THAT INDUCE MACROPHAGE TUMOR NECROSIS FACTOR ALPHA AND COMPUTATIONAL STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF THEREOF FPR1, FPR2, FPR3 MAPT 4845/4885POLB 4470/4885ALDH1A1 3119/4885
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAPT 2174/4885POLB 26/4885ALDH1A1 265/4885

“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.

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