SCHEMBL3597144

SCHEMBL3597144

Nc1ccccc1NC(=O)Cc1csc(NC(=O)O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
ALOX12 P18054 3/20 0.54
LMNA P02545 2/20 0.54
PDE5A O76074 6/20 0.54
SLC12A2 P55011 1/20 0.53
SLC12A5 Q9H2X9 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
PDE1A P54750 1/20 0.49

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
SCHEMBL5599800 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL8245740 0.80 HDAC3 (0.49) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL8246351 0.80 GAA (0.49) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL8247957 0.78 GAA (0.48) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL5600577 0.78 GAA (0.47) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL8246412 0.78 HDAC3 (0.54) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL8245259 0.77 GAA (0.46) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL3607475 0.77 PDE5A (0.70) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL5599931 0.77 PDE5A (0.53) SMN1; SMN2KDM4EGAAMEN1KMT2A
SCHEMBL3607234 0.74 HDAC3 (0.45) SMN1; SMN2KDM4EGAAMEN1KMT2A

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
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 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 (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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 SMN1; SMN2 3278/4885KDM4E 3755/4885GAA 325/4885

“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.