SCHEMBL9190064

SCHEMBL9190064

NCCCN1CCN(CCCN)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD3 P35462 3/20 0.33
KCNH2 Q12809 3/20 0.33
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
ALOX15 P16050 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HTR2A P28223 1/20 0.31
DRD2 P14416 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL1446283 0.87 KEAP1 (0.33) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL31324973 0.85 KEAP1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6HEXA
SCHEMBL471725 0.84 ALOX15 (0.41) CYP2D6DRD3KCNH2ALOX15DRD2
SCHEMBL10850120 0.81 MEN1 (0.39) SMN1; SMN2BCHEACHEHSD17B10
SCHEMBL4873038 0.80 DRD3 (0.60) SIGMAR1CYP2D6DRD3KCNH2DRD2
SCHEMBL1446622 0.79 PER2 (0.38) KEAP1SMN1; SMN2
SCHEMBL10854804 0.79 GBA1 (0.39) BCHEACHE
SCHEMBL24052007 0.79 BCHE (0.33) SIGMAR1BCHEACHE
SCHEMBL10848072 0.78 GBA1 (0.41) BCHEACHE
SCHEMBL10834524 0.76 DRD2 (0.61) CYP2D6DRD3KCNH2HTR2ADRD2

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 6 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
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
EP-0463478-B1 Reactive dyes having a triphendioxazin chromophor BASF AG (DE) 1995-12-13 EP disclosed
US-5194607-A REACTIVE DYES WITH A TRIPHENDIOXAZINE CHROMOPHORE BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0463478-A2 Reactive dyes having a triphendioxazin chromophor BASF Aktiengesellschaft (DE) 1992-01-02 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 KEAP1 634/4885SMN1; SMN2 3979/4885SIGMAR1 984/4885

“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.