SCHEMBL4841912

SCHEMBL4841912

N=C(N)CCc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
AOC3 Q16853 1/20 0.47
MPO P05164 4/20 0.46
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAOB P27338 2/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
SLC6A4 P31645 1/20 0.40
NR3C2 P08235 1/20 0.39
F2 P00734 1/20 0.39

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
Hydrochloric Acid SCHEMBL4717599 0.98 TAAR1 (0.55) TAAR1AOC3MPOIDO1ALDH1A1
SCHEMBL2339717 0.85 TAAR1 (0.41) TAAR1AOC3MPOIDO1ALDH1A1
SCHEMBL13988381 0.85 TAAR1 (0.39) TAAR1AOC3MPOIDO1ALDH1A1
Hydrochloric Acid SCHEMBL3424767 0.84 TAAR1 (0.40) TAAR1AOC3MPOIDO1ALDH1A1
Hydrochloric Acid SCHEMBL4323161 0.83 TAAR1 (0.38) TAAR1AOC3MPOIDO1ALDH1A1
SCHEMBL2859015 0.80 TAAR1 (0.57) TAAR1AOC3MPOIDO1ALDH1A1
SCHEMBL1520469 0.79 TAAR1 (0.50) TAAR1AOC3IDO1ALDH1A1MAOB
SCHEMBL7202777 0.78 TAAR1 (0.42) TAAR1IDO1HPGDF2
Hydrochloric Acid SCHEMBL213754 0.78 IDO1 (0.48) TAAR1AOC3IDO1ALDH1A1MAOB
SCHEMBL4846601 0.77 MPO (0.39) MPOIDO1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B TAAR1 1034/4885AOC3 460/4885MPO 302/4885

“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.