SCHEMBL346453

SCHEMBL346453

CN(C)C1(CCNC(=O)O)CNC1.CNC(=O)c1cc(CCl)on1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 7/20 0.34
NPC1 O15118 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15662835 1.00 ALDH1A1 (0.34) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL346452 0.81 POLB (0.34) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL2332494 0.76 LMNA (0.32) LMNA
SCHEMBL345678 0.69 POLB (0.35) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4009973 0.69 SMN1; SMN2 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL345746 0.64 SCD5 (0.34) RAB9ANPC1POLBHDAC6MEN1
SCHEMBL344838 0.63 RAB9A (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL14069154 0.63 THRB (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4009260 0.62 RAB9A (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL17296417 0.62 S1PR1 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A ALDH1A1 2486/4885RAB9A 331/4885NPC1 1821/4885

“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.