SCHEMBL5165545

SCHEMBL5165545

C=COCc1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
MAOA P21397 2/20 0.47
CYP19A1 P11511 1/20 0.46
CYP3A4 P08684 2/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA14 Q9ULX7 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
APP P05067 1/20 0.38
AS3MT Q9HBK9 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL869687 0.86 IDO1 (0.38) MAOBCYP3A4IDO1AGXT
SCHEMBL5545779 0.81 MAOB (0.47) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL896415 0.78 IDO1 (0.33) MAOBCYP3A4IDO1AGXT
SCHEMBL823910 0.78 MAOB (0.44) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL633486 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL1348468 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL30601044 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL366865 0.77 MAOB (0.56) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL17578926 0.77 MRGPRX4 (0.45) MRGPRX4CYP11B1CYP11B2TP53
SCHEMBL896416 0.77 IDO1 (0.58) MAOBMAOAALDH1A1TDP1ACHE

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-8415338-B2 Oxygen linked pyrimidine derivatives CELL THERAPEUTICS, INC. (US) 2013-04-09 US disclosed
US-8415338-B2 Oxygen linked pyrimidine derivatives CELL THERAPEUTICS, INC. (US) 2013-04-09 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
EP-0885570-B2 Cigarette with a dual-structure filter JAPAN TOBACCO INC (JP) 2007-04-04 EP disclosed
EP-0885570-B1 Cigarette with a dual-structure filter JAPAN TOBACCO INC (JP) 2002-08-21 EP disclosed
US-6206007-B1 Cigarette with a dual-structure filter JAPAN TOBACCO INC. (JP) 2001-03-27 US disclosed
EP-0885570-A1 Cigarette with a dual-structure filter JAPAN TOBACCO INC. (JP) 1998-12-23 EP 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-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 MAOB 983/4885MAOA 1396/4885CYP19A1 1550/4885

“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.