SCHEMBL5455925

SCHEMBL5455925

O=C(Nc1ccc(C2CCN(C(=O)O)CC2)cc1)Nc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 3/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
EPHX2 P34913 2/20 0.50
CCR3 P51677 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP1A2 P05177 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5458069 0.84 NAMPT (0.65) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL3302327 0.83 DGAT1 (0.61) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL3302332 0.83 DGAT1 (0.61) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL5458362 0.83 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5460945 0.81 JAK3 (0.62) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL5459612 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL5470995 0.79 RAB9A (0.51) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL16835185 0.78 NAMPT (0.49) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL5460036 0.77 PANK3 (0.41) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL21834403 0.76 NPC1 (0.81) NPC1RAB9ASMN1; SMN2HTTPOLB

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 NPC1 1089/4885RAB9A 1528/4885SMN1; 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.