SCHEMBL4383440

SCHEMBL4383440

N#CC(C#N)=C(NCCCN1CCCCC1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.42
EPHX1 P07099 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL4388125 0.96 GAA (0.45) L3MBTL3L3MBTL1GAAEPHX1HPGD
SCHEMBL4383145 0.92 L3MBTL1 (0.51) L3MBTL3L3MBTL1CYP3A4HRH3TSHR
SCHEMBL4381114 0.92 L3MBTL1 (0.51) L3MBTL3L3MBTL1CYP3A4HRH3TSHR
SCHEMBL4382122 0.86 CYP1A2 (0.43) L3MBTL3L3MBTL1CYP3A4TSHRMEN1
SCHEMBL4383372 0.85 L3MBTL3 (0.42) L3MBTL3L3MBTL1HRH3TSHRMAPT
SCHEMBL4388918 0.81 L3MBTL3 (0.41) L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL4389771 0.80 RAD52 (0.38) L3MBTL3L3MBTL1GAACYP3A4HRH3
SCHEMBL4394086 0.80 L3MBTL3 (0.37) L3MBTL3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4389855 0.79 HRH3 (0.37) L3MBTL3L3MBTL1CYP3A4HRH3ALDH1A1
SCHEMBL4384521 0.79 L3MBTL3 (0.39) L3MBTL3L3MBTL1HRH3SMN1; 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
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 L3MBTL3 1965/4885L3MBTL1 2665/4885GAA 3879/4885

“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.