SCHEMBL5552121

SCHEMBL5552121

Cc1ccc(C(=O)N[C@@H](CNC(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL5661430 1.00 LMNA (0.41) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL5552114 1.00 LMNA (0.41) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL5552111 1.00 LMNA (0.41) LMNAMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL28761710 0.85 SMN1; SMN2 (0.41) LMNAHTTL3MBTL1BRD4MEN1
SCHEMBL28761711 0.85 SMN1; SMN2 (0.41) LMNAHTTL3MBTL1BRD4MEN1
SCHEMBL5552099 0.85 CTSL (0.52) LMNAMEN1KMT2ACTSSCTSK
SCHEMBL5552094 0.85 CTSL (0.52) LMNAMEN1KMT2ACTSSCTSK
SCHEMBL5552090 0.85 CTSL (0.52) LMNAMEN1KMT2ACTSSCTSK
SCHEMBL5660606 0.85 CTSL (0.52) LMNAMEN1KMT2ACTSSCTSK
SCHEMBL5662081 0.81 LMNA (0.47) LMNAMAPK1HTTALDH1A1POLB

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 LMNA 4760/4885MAPK1 1255/4885HTT 2644/4885

“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.