SCHEMBL7009306

SCHEMBL7009306

Clc1ccc(CCCCCCCCBr)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.59
ALOX15 P16050 1/20 0.59
PNMT P11086 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SIGMAR1 Q99720 13/20 0.49
IDO1 P14902 2/20 0.47
PYGL P06737 1/20 0.46
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CYP2D6 P10635 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL11389115 1.00 IGF1R (0.59) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL8211623 1.00 IGF1R (0.59) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL79213 0.92 IGF1R (0.58) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL177296 0.83 PNMT (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL30019331 0.83 PNMT (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL11332028 0.80 PNMT (0.70) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL10610096 0.80 IGF1R (0.59) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL7008253 0.80 IGF1R (0.65) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL11551178 0.80 IGF1R (0.59) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL22333700 0.80 SIGMAR1 (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1

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-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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 (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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C IGF1R 3836/4885ALOX15 66/4885PNMT 2715/4885

“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.