SCHEMBL12438415

SCHEMBL12438415

CCN(CC)CCNC(=O)c1ccc(C)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
SLC22A2 O15244 1/20 0.61
SLC22A1 O15245 1/20 0.61
TSHR P16473 1/20 0.61
ACHE P22303 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 2/20 0.59
PMP22 Q01453 1/20 0.59
NFKB1 P19838 1/20 0.57
KCNH2 Q12809 1/20 0.57
POLB P06746 3/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP19A1 P11511 1/20 0.54
HDAC1 Q13547 1/20 0.54

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
SCHEMBL1135003 0.86 ALDH1A1 (0.61) KDM4EALDH1A1LMNASLC22A2SLC22A1
SCHEMBL13426202 0.86 ALDH1A1 (0.61) KDM4EALDH1A1LMNASLC22A2SLC22A1
SCHEMBL12302076 0.85 KDM4E (0.67) KDM4EALDH1A1POLBSMN1; SMN2CYP19A1
SCHEMBL1134961 0.84 LMNA (0.59) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL12438405 0.84 ALDH1A1 (0.59) KDM4EALDH1A1LMNASLC22A2SLC22A1
Hydrochloric Acid SCHEMBL2444193 0.84 LMNA (0.62) KDM4EALDH1A1LMNASLC22A2SLC22A1
SCHEMBL1134988 0.84 LMNA (0.59) KDM4EALDH1A1LMNASLC22A2SLC22A1
SCHEMBL12438389 0.84 LMNA (0.59) KDM4EALDH1A1LMNASLC22A2SLC22A1
SCHEMBL1231713 0.84 ALDH1A1 (0.68) KDM4EALDH1A1LMNASLC22A2SLC22A1
SCHEMBL29369961 0.84 LMNA (0.59) KDM4EALDH1A1LMNASLC22A2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092243-B1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2019-06-19 EP disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 US disclosed
US-20110178396-A1 Nicotinamide Derivatives CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2011-07-21 US disclosed
US-20110178396-A1 Nicotinamide Derivatives CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2011-07-21 US disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 WO 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 (2 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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 KDM4E 2842/4885ALDH1A1 989/4885LMNA 3801/4885
US-20110178396-A1 Nicotinamide Derivatives NAMPT, NNT, NNMT KDM4E 1275/4885ALDH1A1 883/4885LMNA 2345/4885

“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.