SCHEMBL5739792

SCHEMBL5739792

O=C(Nc1ccc(N2CC=CCC2)c(F)c1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MGLL Q99685 3/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ENPP2 Q13822 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL14898019 0.92 MAPT (0.54) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL1955176 0.85 MAPT (0.62) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL30771563 0.84 NPC1 (0.61) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL6509573 0.84 GRM5 (0.53) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL2152084 0.84 NPC1 (0.61) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL8306382 0.84 MAPT (0.50) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL1498503 0.83 MAPT (0.53) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL6465956 0.83 NPY2R (0.54) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL8309661 0.82 MAPT (0.48) MAPTTSHRNPC1RAB9AALDH1A1
SCHEMBL14861923 0.82 NPC1 (0.49) MAPTTSHRNPC1RAB9AALDH1A1

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
EP-1660488-A1 NOVEL ANTIMICROBIAL ARYLOXAZOLIDINONE COMPOUNDS Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
US-20050131229-A1 Production method of 2,6-dihalopurine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-16 US disclosed
US-20050065187-A1 Novel antimicrobial aryloxazolidinone compounds GORDEEV MIKHAIL FEDOROVICH (US) 2005-03-24 US disclosed
WO-2005019214-A1 NOVEL ANTIMICROBIAL ARYLOXAZOLIDINONE COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 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 (2 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-20050131229-A1 Production method of 2,6-dihalopurine TPMT, DHPS, DUS2 MAPT 1574/4885TSHR 1641/4885NPC1 3031/4885
US-20050065187-A1 Novel antimicrobial aryloxazolidinone compounds XDH, NQO1, MPO MAPT 4849/4885TSHR 4071/4885NPC1 1209/4885

“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.