SCHEMBL5858886

SCHEMBL5858886

O=C(Nc1n[c]nc2nc[nH]c12)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NT5C2 P49902 2/20 0.39
NT5E P21589 1/20 0.38
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 1/20 0.34
CREBBP Q92793 1/20 0.34
TOP2A P11388 2/20 0.34
BRAF P15056 2/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL28900810 0.83 BRD4 (0.62) BRD4LMNASMN1; SMN2HSD17B10NT5C2
SCHEMBL18941373 0.82 LMNA (0.33) BRD4LMNA
SCHEMBL5860314 0.79 POLB (0.45) BRD4LMNASMN1; SMN2HSD17B10CYP3A4
SCHEMBL7264355 0.78 BRD4 (0.67) BRD4NT5C2NT5ECREBBPTOP2A
SCHEMBL17260474 0.76 MAPT (0.34) LMNAGAACYP3A4
SCHEMBL17260458 0.74 SYK (0.47) BRD4SMN1; SMN2HSD17B10CREBBPBRAF
SCHEMBL28478879 0.74 GDA (0.57) SLC2A1
SCHEMBL28900808 0.72 BRD4 (0.39) BRD4LMNASMN1; SMN2HSD17B10NT5C2
SCHEMBL5857624 0.68 BRD4 (0.71) BRD4SMN1; SMN2NT5C2CYP3A4CREBBP
SCHEMBL545883 0.66 NPC1 (0.38) BRD4SMN1; SMN2HSD17B10NT5C2NT5E

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
EP-3143038-B1 PEPTIDE-NUCLEIC ACID-MONOMERS AND -OLIGOMERS UGISENSE AG (DE) 2018-08-01 EP claimed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US claimed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US disclosed
US-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 US disclosed
EP-1157031-B1 OLIGOMERS SUBSTITUTED BY PHOSPHONIC ACID ESTER, PHOSPHONIC ACID OR CARBABORANE FUNCTIONS AND THE CORRESPONDING PNA MONOMERS UGICHEM GMBH (AT) 2003-12-17 EP disclosed
EP-1157031-A1 OLIGOMERS SUBSTITUTED BY PHOSPHONIC ACID ESTER, PHOSPHONIC ACID OR CARBABORANE FUNCTIONS AND THE CORRESPONDING PNA MONOMERS Ugichem GmbH (DE) 2001-11-28 EP disclosed
WO-2000052038-A1 OLIGOMERS SUBSTITUTED BY PHOSPHONIC ACID ESTER, PHOSPHONIC ACID OR CARBABORANE FUNCTIONS AND THE CORRESPONDING PNA MONOMERS UGICHEM GMBH (DE) 2000-09-08 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 (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-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS DTYMK, POLM, PNKP BRD4 4676/4885LMNA 770/4885SMN1; SMN2 2338/4885

“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.