SCHEMBL4417649

SCHEMBL4417649

N=C(N)N=C(N)N1CCCCCC1.N=C(N)NC(=N)N1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.42
SIGMAR1 Q99720 2/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2953468 0.87 F2 (0.54) F2
SCHEMBL12096425 0.87 F2 (0.54) F2
SCHEMBL45010 0.87 F2 (0.54) F2
Hydrochloric Acid SCHEMBL8515090 0.85 F2 (0.52) F2
Hydrochloric Acid SCHEMBL368028 0.85 F2 (0.52) F2
Bromide SCHEMBL7249927 0.85 F2 (0.52) F2
Hydrochloric Acid SCHEMBL29808003 0.85 F2 (0.52) F2
SCHEMBL2950074 0.84 F2 (0.50) F2KDM4E
SCHEMBL3514781 0.84 LMNA (0.61) LMNAF2SIGMAR1HTTKDM4E
SCHEMBL19038556 0.84 LMNA (0.61) LMNAF2SIGMAR1HTTKDM4E

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-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 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-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 LMNA 2324/4885F2 4474/4885SIGMAR1 4580/4885

“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.