SCHEMBL1861793

SCHEMBL1861793

O=C(NNC(=O)c1cccs1)c1ccc(Br)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 1.00
▸ POLB P06746 4/20 0.78
▸ ALDH1A1 P00352 4/20 0.78
▸ MAPT P10636 4/20 0.78
▸ KDM4E B2RXH2 3/20 0.78
▸ GAA P10253 2/20 0.78
▸ CRHBP P24387 1/20 0.78
▸ HTT P42858 1/20 0.78
▸ CRHR2 Q13324 1/20 0.78
▸ MCOLN3 Q8TDD5 1/20 0.78
▸ MEN1 O00255 5/20 0.72
▸ RECQL P46063 1/20 0.72
▸ CTDSP1 Q9GZU7 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ RAB9A P51151 4/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ HPGD P15428 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ HDAC1 Q13547 1/20 0.54
▸ LMNA P02545 2/20 0.50

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
SCHEMBL12136717 0.84 KMT2A (1.00) KMT2APOLBALDH1A1MAPTKDM4E
SCHEMBL16383923 0.81 KMT2A (1.00) KMT2APOLBALDH1A1MAPTKDM4E
SCHEMBL1858111 0.80 RAB9A (0.78) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL1863520 0.75 GAA (1.00) KMT2APOLBALDH1A1MAPTKDM4E
SCHEMBL1861604 0.74 HDAC1 (0.61) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL4966389 0.74 KMT2A (0.58) KMT2APOLBALDH1A1MAPTKDM4E
SCHEMBL30646484 0.74 HPGD (0.62) KMT2APOLBALDH1A1MAPTKDM4E
SCHEMBL4739925 0.73 RAB9A (0.73) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL1884686 0.72 — —
SCHEMBL24711245 0.72 PAX8 (0.73) KMT2APOLBALDH1A1MAPTKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478364-B1 SELECTIVE ANTIBACTERIAL AGENTS QUONOVA LLC (US) 2009-09-16 — — EP claimed
EP-1478364-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2004-11-24 — — EP claimed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 — — US claimed
WO-2003039549-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2003-05-15 — — WO claimed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 — — US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 — — US disclosed
EP-1478364-B1 SELECTIVE ANTIBACTERIAL AGENTS QUONOVA LLC (US) 2009-09-16 — — EP disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 — — US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 — — US disclosed
US-20080194588-A1 Modulation of pathogcnicity QUONOVA, LLC 2008-08-14 — — US disclosed
US-20080194607-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-14 — — US disclosed
US-20080188535-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 — — US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 — — US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 — — US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 — — US disclosed
EP-1478364-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2004-11-24 — — EP disclosed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 — — US disclosed
WO-2003039549-A2 SELECTIVE ANTIBACTERIAL AGENTS 4SC AG (DE) 2003-05-15 — — WO 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 (10 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-20080194588-A1 Modulation of pathogcnicity NR4A1, NR4A2, NR3C2 KMT2A 3684/4885POLB 3441/4885ALDH1A1 1808/4885
US-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3562/4885POLB 3354/4885ALDH1A1 3110/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885POLB 3327/4885ALDH1A1 3159/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885POLB 3327/4885ALDH1A1 3159/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885POLB 3327/4885ALDH1A1 3159/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 KMT2A 3589/4885POLB 3349/4885ALDH1A1 3160/4885
US-20080194607-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885POLB 3327/4885ALDH1A1 3159/4885
US-20080188535-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3588/4885POLB 3327/4885ALDH1A1 3159/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 KMT2A 3597/4885POLB 3431/4885ALDH1A1 2904/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 KMT2A 3617/4885POLB 2886/4885ALDH1A1 2935/4885

“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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