SCHEMBL4877801

SCHEMBL4877801

O=C(Nc1ccc2c(c1)C(=O)CCCC2)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTPN1 P18031 1/20 0.54
MGLL Q99685 2/20 0.53
ROCK2 O75116 2/20 0.50
ENPP2 Q13822 3/20 0.49
POLB P06746 1/20 0.49
KCNA5 P22460 1/20 0.48
KDM1A O60341 2/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48

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
SCHEMBL6212186 0.88 BAZ2B (0.57) MAOAMAOBTP53MAPTNPC1
SCHEMBL9447608 0.84 NPC1 (0.65) MAOAMAOBTP53MAPTNPC1
SCHEMBL20809837 0.83 TP53 (0.56) MAOAMAOBTP53MAPTNPC1
SCHEMBL6211660 0.80 ALDH1A1 (0.61) MAOAMAOBTP53MAPTNPC1
SCHEMBL6191868 0.79 NPC1 (0.57) MAOAMAOBTP53MAPTNPC1
SCHEMBL17813395 0.77 NPC1 (0.52) MAOAMAOBTP53MAPTNPC1
SCHEMBL17797704 0.77 NPC1 (0.52) MAOAMAOBTP53MAPTNPC1
SCHEMBL8338982 0.77 SLC1A3 (0.61) MAOATP53MAPTNPC1ALDH1A1
SCHEMBL15158561 0.77 MAOA (0.61) MAOAMAOBMAPTNPC1ALDH1A1
SCHEMBL6190803 0.77 RAB9A (0.56) MAOAMAOBTP53MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594494-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
US-20040224939-A1 Antibacterial agents CHUPAK LOUIS S (US) 2004-11-11 US disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004069244-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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 (3 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-20040224939-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885MAOB 221/4885TP53 4454/4885
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS MAOA 1420/4885MAOB 736/4885TP53 407/4885
US-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL MAOA 236/4885MAOB 221/4885TP53 4454/4885

“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.