SCHEMBL4389015

SCHEMBL4389015

N#CC(C#N)=C(NCCCN1CCOCC1)NCCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
LMNA P02545 2/20 0.55
TSHR P16473 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
RAB9A P51151 1/20 0.48
BCHE P06276 1/20 0.46
EPHX1 P07099 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL4385695 0.83 HRH3 (0.45) TSHRMAPT
SCHEMBL4386534 0.81 CA12 (0.44) TSHRALDH1A1KDM4EMAPT
SCHEMBL4560028 0.74 GAA (0.60) HPGDDUSP3LMNATSHRGAA
SCHEMBL13655375 0.74 LMNA (0.84) HPGDDUSP3LMNATSHRGAA
SCHEMBL2347336 0.74 GAA (0.70) HPGDDUSP3LMNATSHRGAA
SCHEMBL76649 0.73 GAA (0.68) HPGDDUSP3LMNATSHRGAA
SCHEMBL11742767 0.71 LMNA (0.69) HPGDDUSP3LMNATSHRGAA
SCHEMBL8762651 0.71 GAA (0.66) HPGDDUSP3LMNATSHRGAA
Hydrochloric Acid SCHEMBL5658003 0.71 GAA (0.66) HPGDDUSP3LMNATSHRGAA
SCHEMBL16450869 0.71 HPGD (0.74) HPGDDUSP3LMNAGAAALDH1A1

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 HPGD 349/4885DUSP3 3006/4885LMNA 3566/4885

“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.