SCHEMBL5459850

SCHEMBL5459850

CC(C)(C)c1csc(NC(=O)Nc2ccc(N3CCN(C(=O)O)CC3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
MAPK1 P28482 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 2/20 0.64
FLT3 P36888 1/20 0.48
RET P07949 1/20 0.47
BRAF P15056 1/20 0.46
CNR2 P34972 1/20 0.46
ATAD2 Q6PL18 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5467445 0.88 MEN1 (0.56) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL5459405 0.86 RAB9A (0.62) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL5551064 0.86 MAPK1 (0.56) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL5459659 0.83 LMNA (0.48) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL5465585 0.82 RAB9A (0.52) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL5551055 0.81 BTK (0.46) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL14014120 0.79 RAB9A (0.80) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10078887 0.79 MEN1 (1.00) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL5460991 0.77 RAB9A (0.59) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL22103784 0.77 RAB9A (0.76) RAB9ANPC1MAPK1MEN1KMT2A

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 1089/4885MAPK1 1466/4885

“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.