SCHEMBL1673785

SCHEMBL1673785

O=C(OCc1ccccc1)N1CCN[C@@H](c2ccc(Br)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
PDE4B Q07343 1/20 0.43
HTR2C P28335 1/20 0.42
GRIN2B Q13224 3/20 0.41
USP30 Q70CQ3 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL4781078 0.92 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31173542 0.88 TMEM97 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4030424 0.81 TMEM97 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31198971 0.80 PDE4B (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31056845 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31269614 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16026495 0.79 BRD4 (0.50) NPC1CYP2C19MEN1KMT2A
SCHEMBL2787453 0.79 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13490134 0.79 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28162698 0.79 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT SMN1; SMN2 407/4885NPC1 607/4885RAB9A 3390/4885

“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.