SCHEMBL5456879

SCHEMBL5456879

COc1cc(NC(=O)Nc2ccc(N3CCN(C(=O)Nc4ncccc4C)CC3)cc2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 6/20 0.51
TRPV1 Q8NER1 2/20 0.51
NAMPT P43490 1/20 0.51
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
PTPN7 P35236 1/20 0.48
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL5462501 0.90 MAPT (0.56) MAPTTRPV1NAMPTCA12CA1
SCHEMBL5454308 0.87 NAMPT (0.50) RAB9ANPC1SMN1; SMN2MAPTNAMPT
SCHEMBL5470998 0.86 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5459861 0.85 MAPT (0.50) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5465363 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5464796 0.85 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5467111 0.85 MAPT (0.51) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5453308 0.85 GFER (0.53) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5467463 0.85 GFER (0.51) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL5467464 0.83 GFER (0.51) RAB9ANPC1SMN1; SMN2MAPTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US claimed

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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 RAB9A 1528/4885NPC1 1089/4885SMN1; SMN2 4424/4885

“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.