SCHEMBL6721246

SCHEMBL6721246

N=C1S/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 1.00
▸ POLB P06746 9/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ MAPT P10636 6/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ NSD2 O96028 2/20 1.00
▸ RECQL P46063 2/20 1.00
▸ GAA P10253 1/20 1.00
▸ MPI P34949 1/20 1.00
▸ TDP1 Q9NUW8 6/20 0.67
▸ L3MBTL1 Q9Y468 4/20 0.67
▸ CTDSP1 Q9GZU7 3/20 0.67
▸ PKM P14618 2/20 0.67
▸ APEX1 P27695 1/20 0.67
▸ HPGD P15428 2/20 0.64
▸ PSMD14 O00487 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ BLM P54132 4/20 0.60

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
SCHEMBL14426569 0.86 KMT2A (0.76) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14426534 0.84 MEN1 (0.73) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14426558 0.84 MEN1 (0.73) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14426556 0.78 MEN1 (1.00) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14426537 0.78 MEN1 (1.00) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14426557 0.77 MEN1 (0.71) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14291864 0.72 MEN1 (0.74) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL3344546 0.71 CFTR (0.70) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL14426555 0.70 MEN1 (0.61) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL6793262 0.70 PTPN22 (0.67) KMT2APOLBMEN1MAPTALDH1A1

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 KMT2A 1477/4885POLB 26/4885MEN1 4601/4885

“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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