SCHEMBL4386534

SCHEMBL4386534

N#CC(C#N)=C(NCCCN1CCCCC1)NCCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HRH3 Q9Y5N1 6/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 0.97 HRH3 (0.45) CA12CA1CA2CA9HRH3
SCHEMBL4389015 0.81 HPGD (0.58) ALDH1A1MAPTKDM4ETSHR
SCHEMBL4381114 0.71 L3MBTL1 (0.51) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL28467857 0.71 MAPT (0.41) CA12CA1CA2CA9HRH3
SCHEMBL3896010 0.70 EPHX1 (0.54) CA12CA1CA2CA9HRH3
SCHEMBL5488104 0.70 KDM4E (0.57) CA12CA1CA2CA9HRH3
SCHEMBL11054701 0.68 HSD17B10 (0.56) CA12CA1CA2CA9HRH3
SCHEMBL9990508 0.68 SMN1; SMN2 (0.57) CA12CA1CA2CA9HRH3
SCHEMBL17525452 0.67 KDM4E (0.54) CA12CA1CA2CA9MAPT
SCHEMBL17525451 0.67 HRH3 (0.46) CA12CA1CA2CA9HRH3

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 CA12 2182/4885CA1 1614/4885CA2 2333/4885

“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.