SCHEMBL4288698

SCHEMBL4288698

N=C(N)NCC[C@H]1O[C@H](CCNC(=N)N)[C@@H](O)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ IDUA P35475 1/20 0.32
▸ ALOX15 P16050 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
Hydrochloric Acid SCHEMBL3668608 0.98 MEN1 (0.32) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL13879970 0.91 — —
SCHEMBL3973511 0.78 — —
Hydrochloric Acid SCHEMBL3675114 0.77 PNP (0.30) —
SCHEMBL14345875 0.76 SPHK2 (0.33) —
SCHEMBL13880002 0.71 — —
SCHEMBL5680169 0.68 CA12 (0.32) —
SCHEMBL3079040 0.68 CYP1A2 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2TSHR
SCHEMBL30428351 0.68 CA1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4762965 0.67 — —

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-20090110720-A1 Use of compounds for the prevention of drug-induced cell toxicity RECEPTICON APS (DK) 2009-04-30 — — US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 — — US disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 — — WO 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 (2 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-20090110720-A1 Use of compounds for the prevention of drug-induced cell toxicity SLC47A1, SLC10A6, SLC47A2 MEN1 1662/4885CYP1A2 1917/4885KMT2A 4551/4885
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 MEN1 1789/4885CYP1A2 4529/4885KMT2A 4661/4885

“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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