SCHEMBL5459405

SCHEMBL5459405

CC(C)(C)c1csc(NC(=O)Nc2ccc(N3CCNCC3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
RET P07949 1/20 0.52
P2RY1 P47900 1/20 0.51
FLT3 P36888 2/20 0.48
BRAF P15056 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
ATAD2 Q6PL18 1/20 0.46
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL5459850 0.86 RAB9A (0.64) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5460908 0.85 RAB9A (0.55) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5464860 0.83 MAPKAPK2 (0.48) RAB9ANPC1SMN1; SMN2POLBP2RY1
SCHEMBL5467445 0.83 MEN1 (0.56) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5462600 0.80 PIK3CA (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL14014120 0.80 RAB9A (0.80) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL22103784 0.78 RAB9A (0.76) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10078887 0.77 MEN1 (1.00) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5465585 0.77 RAB9A (0.52) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL20788543 0.77 NPC1 (0.77) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2

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 RAB9A 1528/4885NPC1 1089/4885ALDH1A1 731/4885

“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.