SCHEMBL4897648

SCHEMBL4897648

COc1ccc2c(c1)NC(=O)[C@H](O)[C@@H](c1ccccc1)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
CYP2C19 P33261 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
HIF1A Q16665 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CYP2C9 P11712 1/20 0.47
ABCB1 P08183 1/20 0.47
AR P10275 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL3341036 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1CYP2C19CYP3A4
SCHEMBL13991187 0.86 ABCB1 (0.46) SMN1; SMN2KMT2AMEN1CYP2C19CYP3A4
SCHEMBL6981242 0.84 ABCB1 (0.49) SMN1; SMN2KMT2AMEN1CYP2C19CYP3A4
SCHEMBL3342685 0.80 RET (0.48) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL14367228 0.79 PARP1 (0.56) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4903088 0.79 PARP1 (0.56) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3346129 0.79 PARP1 (0.56) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3344870 0.79 PARP1 (0.56) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4906077 0.79 KMT2A (0.41) SMN1; SMN2KMT2AMEN1KDM4EHTT
SCHEMBL30665888 0.76 PARP1 (0.57) KMT2AMEN1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1831187-A1 NOVEL MOLECULAR PROBES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065218-A1 NOVEL MOLECULAR PROBES ASTRAZENECA AB (SE) 2006-06-22 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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 SMN1; SMN2 3224/4885KMT2A 4557/4885MEN1 2630/4885

“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.