SCHEMBL3609749

SCHEMBL3609749

N#Cc1cc(C(N)=O)sc1C(N)=O.NC(=O)c1cc(Br)c(C(N)=O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.34
PTPN2 P17706 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC9A1 P19634 1/20 0.33
LMNA P02545 1/20 0.33
CDK8 P49336 2/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
CCNC P24863 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GSK3B P49841 5/20 0.31
DAPK3 O43293 3/20 0.31

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
SCHEMBL3607622 0.90 GAA (0.42) GAAALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL5010509 0.68 GSK3B (0.59) ALDH1A1PTPN2L3MBTL1KDM4EMEN1
SCHEMBL3605972 0.67 NOTUM (0.43) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL19437933 0.65 KDR (0.42) ALDH1A1PTPN2L3MBTL1KDM4EMEN1
2-Thiophenecarbonitrile SCHEMBL12496613 0.64 MEN1 (0.40) ALDH1A1PTPN2L3MBTL1KDM4EMEN1
SCHEMBL4211782 0.63 KDR (0.43) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL31117978 0.62 SLC9A1 (0.72) SLC9A1CDK8ICAM1SELEVCAM1
SCHEMBL20894017 0.62 GSK3B (0.39) NPSR1GSK3BGPR35
SCHEMBL12272939 0.62 ALDH1A1 (0.46) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL3277968 0.61 PARP1 (0.44) CSNK2A1LCKMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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 (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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 GAA 1273/4885ALDH1A1 4295/4885PTPN2 2748/4885

“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.