SCHEMBL3839703

SCHEMBL3839703

Cc1nc(-c2cccc(OC(=O)N3CCOCC3)c2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.63
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL783030 0.80 LMNA (0.65) ADORA2ARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL4197062 0.78 EPHX1 (1.00) EPHX1ADORA2AADORA1HSD17B10KMT2A
SCHEMBL102151 0.72 RAB9A (0.45) KMT2ARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL16067423 0.72 L3MBTL1 (0.72) HSD17B10KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL4751203 0.72 FAAH (0.63)
SCHEMBL4599459 0.72 EPHX1 (0.68) EPHX1HSD17B10KMT2ARAB9ANPSR1
SCHEMBL4599565 0.72 EPHX1 (0.68) EPHX1ADORA2AADORA1HSD17B10KMT2A
SCHEMBL4598628 0.72 EPHX1 (0.68) EPHX1ADORA2AADORA1HSD17B10KMT2A
SCHEMBL28372646 0.72 EPHX1 (0.68) EPHX1ADORA2AADORA1HSD17B10KMT2A
SCHEMBL8926158 0.71 EPHX1 (1.00) EPHX1ADORA2AADORA1HSD17B10KMT2A

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-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
EP-2193129-B1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2012-10-24 EP disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
EP-2097409-B1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-09-12 EP disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-2097409-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-09 EP disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
WO-2008078837-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-07-03 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-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 EPHX1 3631/4885ADORA2A 3178/4885ADORA1 1984/4885

“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.