SCHEMBL6721166

SCHEMBL6721166

O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 1.00
▸ POLB P06746 7/20 1.00
▸ LDHA P00338 6/20 1.00
▸ L3MBTL1 Q9Y468 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ HPGD P15428 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ PSMD14 O00487 1/20 0.66
▸ KDM4E B2RXH2 7/20 0.65
▸ TDP1 Q9NUW8 3/20 0.65
▸ NPC1 O15118 2/20 0.63
▸ PKM P14618 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ MAPK1 P28482 1/20 0.60
▸ APAF1 O14727 1/20 0.60
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PABPC1 P11940 1/20 0.58
▸ GAA P10253 2/20 0.58
▸ CYP2C9 P11712 1/20 0.55

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
SCHEMBL13496985 0.89 MAPT (0.80) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL18153643 0.89 MAPT (0.80) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL6721172 0.88 MAPT (0.78) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL6720913 0.86 MAPT (0.75) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL6721168 0.81 MAPT (0.68) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL30307761 0.80 MAPT (1.00) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL29264529 0.80 MAPT (1.00) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL19420133 0.79 MAPT (0.76) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL6721171 0.79 MAPT (1.00) MAPTPOLBLDHAL3MBTL1ALDH1A1
SCHEMBL6721170 0.79 LDHA (1.00) MAPTPOLBLDHAL3MBTL1ALDH1A1

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 MAPT 2174/4885POLB 26/4885LDHA 618/4885

“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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