SCHEMBL5551925

SCHEMBL5551925

CCOC(=O)N[C@H](C(=O)N[C@H](CNC(=O)c1cc2ccccc2o1)C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL5552059 0.89 SMN1; SMN2 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5553278 0.89 RAB9A (0.48) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5659278 0.88 MEN1 (0.45) RAB9ANPC1MEN1KMT2ATAS1R3
SCHEMBL5551994 0.88 MEN1 (0.45) RAB9ANPC1MEN1KMT2ATAS1R3
SCHEMBL5547838 0.87 MEN1 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5663102 0.87 MEN1 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5551480 0.85 TAS1R3 (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5552112 0.84 RAB9A (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5553249 0.83 MEN1 (0.52) RAB9ANPC1MEN1KMT2ATAS1R3
SCHEMBL5553253 0.83 MEN1 (0.52) RAB9ANPC1MEN1KMT2ATAS1R3

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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR RAB9A 363/4885NPC1 4508/4885MEN1 779/4885

“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.