SCHEMBL5459990

SCHEMBL5459990

O=C(Nc1ccc2c(c1)CCN(C(=O)O)C2)Nc1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.67
RAB9A P51151 14/20 0.67
TMPRSS2 O15393 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
RIPK2 O43353 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL3405294 0.87 RAB9A (0.63) NPC1RAB9ATMPRSS2SMN1; SMN2MEN1
SCHEMBL5455943 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL5458367 0.84 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL1188455 0.83 NPC1 (0.54) NPC1RAB9ATMPRSS2SMN1; SMN2HTT
SCHEMBL13654338 0.83 NPC1 (0.54) NPC1RAB9ATMPRSS2SMN1; SMN2HTT
SCHEMBL1188162 0.82 NPC1 (0.53) NPC1RAB9ATMPRSS2SMN1; SMN2HTT
SCHEMBL1187800 0.82 NPC1 (0.53) NPC1RAB9ATMPRSS2SMN1; SMN2HTT
SCHEMBL1187798 0.82 NPC1 (0.53) NPC1RAB9ATMPRSS2SMN1; SMN2HTT
SCHEMBL8161154 0.81 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL1188566 0.81 NPC1 (0.51) NPC1RAB9ATMPRSS2PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009119534-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE 第一三共株式会社 (JP) 2009-10-01 WO disclosed
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 1528/4885TMPRSS2 3127/4885

“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.