SCHEMBL14426384

SCHEMBL14426384

N=C(N)NCC1OC(O)C(NC(=N)N)C(O)C1O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HK1 P19367 5/20 0.33
▸ HK2 P52789 5/20 0.33
▸ AMDHD2 Q9Y303 1/20 0.31

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
SCHEMBL24256228 0.83 KDM4E (0.37) KDM4ELMNACYP2D6CYP2C19HK1
SCHEMBL23705310 0.83 KDM4E (0.37) KDM4ELMNACYP2D6CYP2C19HK1
SCHEMBL23705263 0.83 KDM4E (0.37) KDM4ELMNACYP2D6CYP2C19HK1
SCHEMBL5680169 0.82 CA12 (0.32) —
SCHEMBL3973511 0.82 — —
Hydrochloric Acid SCHEMBL3675114 0.80 PNP (0.30) —
SCHEMBL13880002 0.74 — —
SCHEMBL20220892 0.74 LMNA (0.38) KDM4ELMNACYP2D6CYP2C19HK1
SCHEMBL7153776 0.70 MAPK1 (0.47) KDM4ELMNACYP2D6CYP2C19HK1
SCHEMBL7154585 0.70 MAPK1 (0.47) KDM4ELMNACYP2D6CYP2C19HK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071535-B2 Guanidinium derivatives for improved cellular transport THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-06 — — US disclosed
US-8071535-B2 Guanidinium derivatives for improved cellular transport THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-06 — — US disclosed
US-20070185040-A1 Guanidinium derivatives for improved cellular transport THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-08-09 — — 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-20070185040-A1 Guanidinium derivatives for improved cellular transport SLC29A2, SLC29A1, SLC2A8 KDM4E 3542/4885LMNA 1574/4885CYP2D6 2625/4885

“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.

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