SCHEMBL12713879

SCHEMBL12713879

CN1CN(CC(O)CO)c2c1n(C)c(=O)n(C)c2=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NPSR1 Q6W5P4 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
Iodide SCHEMBL5483654 0.99 POLB (0.41) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL8952584 0.72 POLB (0.33) SMN1; SMN2LMNAPOLB
Iodide SCHEMBL1609671 0.69 KMT2A (0.32) KMT2A
SCHEMBL8952654 0.63 EPHX2 (0.31) —
SCHEMBL12473823 0.62 KMT2A (0.32) KMT2A
SCHEMBL13413746 0.62 LMNA (0.43) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL14357418 0.60 PRMT5 (0.40) SMN1; SMN2POLB
SCHEMBL14357417 0.60 PRMT5 (0.40) SMN1; SMN2POLB
Dyphylline SCHEMBL1816552 0.59 LMNA (1.00) SMN1; SMN2LMNAPOLB
SCHEMBL4189383 0.59 MAPT (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 — — US disclosed
US-8648064-B2 Metal complexes of N-heterocyclic carbenes THE UNIVERSITY OF AKRON (US) 2014-02-11 — — US disclosed
CN-103327816-A Metal complexes of N-heterocyclic carbenes UNIV AKRON 2013-09-25 — — CN disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
US-8519146-B2 Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections THE UNIVERSITY OF AKRON (US) 2013-08-27 — — US disclosed
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-14 — — US disclosed
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES THE UNIVERSITY OF AKRON (US) 2011-04-14 — — US disclosed
US-20070021401-A1 Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIVERSITY OF AKRON 2007-01-25 — — US disclosed
US-20070021401-A1 Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics UNIVERSITY OF AKRON 2007-01-25 — — 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 (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-20070021401-A1 Metal complexes of N-heterocyclic carbenes as radiopharmaceuticals and antibiotics MKI67, AHR, ARNT SMN1; SMN2 3972/4885LMNA 4017/4885POLB 1845/4885
US-20110086830-A1 METAL COMPLEXES OF N-HETEROCYCLIC CARBENES NOD2, ARNT, FPR1 SMN1; SMN2 4838/4885LMNA 4321/4885POLB 2912/4885

“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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