SCHEMBL5460908

SCHEMBL5460908

CC(C)(C)c1csc(NC(=O)Nc2ccc(N3CCNCC3)nc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
RET P07949 1/20 0.49
FLT3 P36888 1/20 0.48
BRAF P15056 1/20 0.46
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ATAD2 Q6PL18 1/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
P2RY1 P47900 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL5551064 0.87 MAPK1 (0.56) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5459405 0.85 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5455957 0.84 WNT3A (0.51) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5454381 0.79 NPC1 (0.47) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5459265 0.78 RAB9A (0.53) RAB9ASMN1; SMN2POLBFLT3MAPT
SCHEMBL30837485 0.76 KCNH2 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL27183750 0.76 KCNH2 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3174170 0.74 MAPK14 (0.66)
SCHEMBL14014120 0.74 RAB9A (0.80) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL30837480 0.74 KDM4E (0.37) RAB9ANPC1MAPK1SMN1; SMN2KMT2A

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.