SCHEMBL4397617

SCHEMBL4397617

N#CC(C#N)=C1N(CCCNC2CCCCC2)CCN1CCN1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.67
RAD52 P43351 1/20 0.39
EPHX1 P07099 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13788005 0.90 HRH3 (0.71) HRH3RAD52
Fumaric Acid SCHEMBL4384166 0.82 HRH3 (0.59) HRH3RAD52TSHRTP53CYP1A2
Fumaric Acid SCHEMBL4384167 0.82 HRH3 (0.59) HRH3RAD52TSHRTP53CYP1A2
SCHEMBL4386964 0.81 HRH3 (1.00) HRH3
SCHEMBL4384099 0.81 HRH3 (1.00) HRH3
SCHEMBL4389051 0.81 HRH3 (1.00) HRH3
SCHEMBL4384189 0.81 HRH3 (1.00) HRH3
SCHEMBL4381834 0.81 HRH3 (1.00) HRH3
SCHEMBL4389621 0.81 HRH3 (1.00) HRH3
SCHEMBL4383239 0.80 HRH3 (0.97) HRH3

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
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885RAD52 945/4885EPHX1 2060/4885

“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.