SCHEMBL5341982

SCHEMBL5341982

O=C1COc2c(F)cc(C=C3SC(=S)NC3=O)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.51
NAT1 P18440 6/20 0.50
PTP4A3 O75365 2/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 1/20 0.46
EPHX1 P07099 1/20 0.46
PDE4B Q07343 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CLK1 P49759 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45

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
SCHEMBL5341980 1.00 DNM1 (0.51) DNM1NAT1PTP4A3MEN1NPC1
SCHEMBL5336102 0.87 DNM1 (0.59) DNM1NAT1PTP4A3MEN1NPC1
SCHEMBL5336100 0.87 DNM1 (0.59) DNM1NAT1PTP4A3MEN1NPC1
SCHEMBL5396619 0.86 MEN1 (0.60) DNM1NAT1MEN1NPC1ALDH1A1
SCHEMBL5340057 0.83 PDE4B (0.63) NAT1MEN1ALDH1A1LMNAGAA
SCHEMBL5340064 0.83 PDE4B (0.63) NAT1MEN1ALDH1A1LMNAGAA
SCHEMBL5342146 0.78 CSNK2A2 (0.61) NAT1MEN1NPC1KMT2APDE4B
SCHEMBL5342147 0.78 CSNK2A2 (0.61) NAT1MEN1NPC1KMT2APDE4B
SCHEMBL3276712 0.76 NR3C2 (0.44)
SCHEMBL29952529 0.76 NR3C2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 DNM1 4688/4885NAT1 2652/4885PTP4A3 1592/4885

“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.