SCHEMBL6234062

SCHEMBL6234062

CC(C)CCn1c(=O)oc(=O)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
POLB P06746 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NQO1 P15559 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DNMT1 P26358 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL24054671 0.86 DPP4 (0.42) DNM1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL30198037 0.86 DPP4 (0.42) DNM1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6236333 0.85 L3MBTL1 (0.44) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6232591 0.84 NOS3 (0.41) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL6738246 0.84 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6231590 0.84 MAPT (0.40) MAPTALDH1A1SMN1; SMN2NPC1SIGMAR1
SCHEMBL6238430 0.82 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL30549406 0.81 SMN1; SMN2 (0.44) DNM1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL25365861 0.81 SMN1; SMN2 (0.44) DNM1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5308775 0.80 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 DNM1 1079/4885MAPT 4204/4885ALDH1A1 1494/4885

“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.