SCHEMBL10061853

SCHEMBL10061853

C[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)C1O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.74
NT5E P21589 2/20 0.71
LMNA P02545 1/20 0.71
HIF1A Q16665 1/20 0.71
ADORA2A P29274 3/20 0.64
ADORA2B P29275 3/20 0.64
ADORA1 P30542 1/20 0.64
CA5A P35218 1/20 0.61
AHCY P23526 4/20 0.58
DNMT1 P26358 1/20 0.55
DNMT3B Q9UBC3 1/20 0.55

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
SCHEMBL8508817 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL6671650 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL2406005 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL19843949 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL2406009 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL23884966 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL10015793 1.00 ADORA3 (0.74) ADORA3NT5ELMNAHIF1AADORA2A
Phosphoric Acid SCHEMBL18490660 0.94 ADORA3 (0.67) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL19843948 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A
SCHEMBL4452559 0.87 ADORA3 (0.77) ADORA3NT5ELMNAHIF1AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034851-B2 Metal-salen complex compound, local anesthetic and antineoplastic drug IHI CORPORATION (JP) 2018-07-31 US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 US disclosed
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG ISHIKAWA YOSHIHIRO (JP) 2016-09-15 US disclosed
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG ISHIKAWA YOSHIHIRO (JP) 2016-09-15 US disclosed
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG IHI CORPORATION (JP) 2014-07-24 US disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 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 (4 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-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 ADORA3 4140/4885NT5E 4094/4885LMNA 1439/4885
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN ADORA3 1864/4885NT5E 1694/4885LMNA 2399/4885
US-10034851-B2 Metal-salen complex compound, local anesthetic and antineoplastic drug NCLN, KCNN2, NCSTN ADORA3 1864/4885NT5E 1694/4885LMNA 2399/4885
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN ADORA3 1864/4885NT5E 1694/4885LMNA 2399/4885

“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.