SCHEMBL12378823

SCHEMBL12378823

CC(O)CSc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 2/20 0.39
GPR55 Q9Y2T6 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8253948 0.83 MAOA (0.70) MAOASMN1; SMN2CA1CA2CA4
SCHEMBL14282658 0.81 MAOA (0.42) MAOAMAOB
SCHEMBL3658991 0.81 MAOA (0.42) MAOACA2MAOB
SCHEMBL4720208 0.81 HPGD (0.46) MAOASMN1; SMN2CA1CA2CA4
SCHEMBL27611935 0.80 MAOA (0.56) MAOASMN1; SMN2CA1CA2CA4
SCHEMBL31219939 0.79 MAOA (0.46) MAOACA1CA2CA4CA7
SCHEMBL1496584 0.79 HPGD (0.47) MAOASMN1; SMN2SDCBPSDC2MEN1
SCHEMBL1496593 0.78 MAOA (0.63) MAOACA1CA2CA4CA7
SCHEMBL13970559 0.78 MAOA (0.54) MAOASMN1; SMN2CA1CA2CA4
SCHEMBL12475094 0.78 MAOA (0.63) MAOASMN1; SMN2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT MAOA 1773/4885SMN1; SMN2 3565/4885CA1 2842/4885

“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.