SCHEMBL6720203

SCHEMBL6720203

O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 15/20 0.85
▸ KMT2A Q03164 15/20 0.85
▸ POLB P06746 6/20 0.70
▸ GAA P10253 1/20 0.70
▸ ATM Q13315 1/20 0.70
▸ MAPT P10636 6/20 0.66
▸ MAPK1 P28482 3/20 0.66
▸ BLM P54132 2/20 0.62
▸ L3MBTL1 Q9Y468 5/20 0.61
▸ ALPL P05186 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ PSMD14 O00487 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HSP90AA1 P07900 2/20 0.58
▸ MMP2 P08253 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ ALPI P09923 2/20 0.58
▸ ALPG P10696 2/20 0.58

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
SCHEMBL15347090 0.87 MEN1 (0.79) MEN1KMT2APOLBGAAATM
SCHEMBL15347087 0.87 MEN1 (0.79) MEN1KMT2APOLBGAAATM
SCHEMBL2492218 0.83 MEN1 (0.74) MEN1KMT2APOLBGAAATM
SCHEMBL2492219 0.83 MEN1 (0.74) MEN1KMT2APOLBGAAATM
SCHEMBL14788065 0.83 MEN1 (0.74) MEN1KMT2APOLBGAAATM
SCHEMBL6720205 0.80 PTGES (0.87) MEN1KMT2APOLBGAAATM
SCHEMBL12218221 0.80 KMT2A (0.70) MEN1KMT2APOLBGAAATM
SCHEMBL15359666 0.77 KMT2A (0.78) MEN1KMT2APOLBGAAATM
SCHEMBL15347344 0.77 KMT2A (0.78) MEN1KMT2APOLBGAAATM
SCHEMBL15347346 0.77 KMT2A (0.78) MEN1KMT2APOLBGAAATM

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

“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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