SCHEMBL3743330

SCHEMBL3743330

Cn1nc(-c2cccs2)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RET P07949 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PHGDH O43175 1/20 0.41
LIMK1 P53667 1/20 0.41
AR P10275 1/20 0.41
KDM4E B2RXH2 2/20 0.40
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL1081410 0.85 KMT2A (0.51) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL13974535 0.80 ADORA2A (0.49) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14626023 0.80 ALDH1A1 (0.69) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3743332 0.78 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL2678185 0.75 PHGDH (0.60) PHGDH
SCHEMBL12090639 0.74 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL2549184 0.73 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL15638530 0.73 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL595201 0.72 ALDH1A1 (0.57) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL15048551 0.72 KLK3 (0.48) SMN1; SMN2L3MBTL1ALDH1A1HPGDRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US 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-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188535-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080188491-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 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 SMN1; SMN2 2595/4885L3MBTL1 4274/4885KMT2A 3684/4885
US-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2316/4885L3MBTL1 1128/4885KMT2A 3562/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885L3MBTL1 1152/4885KMT2A 3588/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885L3MBTL1 1152/4885KMT2A 3588/4885
US-20080188491-A1 Modulation of pathogenicity NR4A1, MSR1, NR4A2 SMN1; SMN2 1892/4885L3MBTL1 1327/4885KMT2A 3525/4885
US-20080194607-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885L3MBTL1 1152/4885KMT2A 3588/4885
US-20080188535-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885L3MBTL1 1152/4885KMT2A 3588/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2336/4885L3MBTL1 1152/4885KMT2A 3588/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 SMN1; SMN2 2207/4885L3MBTL1 982/4885KMT2A 3597/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 SMN1; SMN2 2492/4885L3MBTL1 1234/4885KMT2A 3617/4885

“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.