SCHEMBL513344

SCHEMBL513344

CC1(C)CC(=O)N(Cc2ccccc2N)CO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.36
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
P2RX7 Q99572 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BACE1 P56817 4/20 0.32
FDPS P14324 1/20 0.31
MAPT P10636 1/20 0.31
GRM4 Q14833 1/20 0.30
ACHE P22303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL1963377 0.76 GRM5 (0.40) SIRT2SIRT1TAS2R8P2RX7MEN1
SCHEMBL4910875 0.69 SIRT2 (0.39) SIRT2SIRT1TAS2R8CYP2C19CYP3A4
SCHEMBL1964382 0.68 PER2 (0.46) SIRT2SIRT1TAS2R8P2RX7MEN1
SCHEMBL14537170 0.67 MAPK1 (0.56) SIRT2SIRT1KMT2AMAPTACHE
SCHEMBL6938726 0.67 EPHX2 (0.42) SIRT2SIRT1TAS2R8CYP2C19CYP3A4
SCHEMBL514643 0.67 SIRT2 (0.42) SIRT2SIRT1TAS2R8
SCHEMBL10751909 0.66 BRD4 (0.43) SIRT2SIRT1TAS2R8CYP2C19CYP3A4
SCHEMBL4918740 0.66 SIRT2 (0.36) SIRT2SIRT1TAS2R8CYP2C19CYP3A4
SCHEMBL14403257 0.64 ALDH1A1 (0.67) SIRT2SIRT1CYP2C19CYP3A4MEN1
SCHEMBL4923661 0.64 SIRT2 (0.48) SIRT2SIRT1MEN1KMT2ASMN1; SMN2

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
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 SIRT2 2248/4885SIRT1 2729/4885TAS2R8 2503/4885

“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.