SCHEMBL4396603

SCHEMBL4396603

CC(C)(C)OC(=O)NCCCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC2 Q92769 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL3834327 0.92 HDAC1 (0.48) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3829603 0.90 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3835546 0.88 PIR (0.44) RAB9ANPC1SMN1; SMN2TP53HDAC1
SCHEMBL3832579 0.88 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL2475671 0.88 TSHR (0.43) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL3835829 0.88 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2TP53ATM
SCHEMBL2471517 0.88 HDAC1 (0.53) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL3830933 0.87 NAMPT (0.49) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3832860 0.87 NAMPT (0.46) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3835228 0.86 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-8076332-B2 N- (2-aminophenyl) benzamide derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US 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-20090306077-A1 NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE UACA, SLC14A1, ARG2 RAB9A 1942/4885NPC1 989/4885SMN1; SMN2 4637/4885

“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.