SCHEMBL5547820

SCHEMBL5547820

CC(C)[C@H](N)C(=O)NC[C@@H](NC(=O)c1cc2ccccc2o1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.56
TAS1R1 Q7RTX1 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 4/20 0.49
TSHR P16473 2/20 0.48
PKM P14618 2/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 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
SCHEMBL5547817 1.00 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5663928 1.00 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5547812 1.00 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL21141803 0.82 ALDH1A1 (0.60) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL13505968 0.82 ALDH1A1 (0.60) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5551469 0.82 MEN1 (0.49) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5553249 0.80 MEN1 (0.52) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5553253 0.80 MEN1 (0.52) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5553259 0.80 MEN1 (0.52) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL5663654 0.80 MEN1 (0.52) TAS1R3TAS1R1ALDH1A1NPC1RAB9A

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 TAS1R3 523/4885TAS1R1 407/4885ALDH1A1 327/4885

“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.