SCHEMBL8042223

SCHEMBL8042223

NC(=O)c1ccccc1OCCBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
LMNA P02545 3/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 2/20 0.64
NR1I2 O75469 1/20 0.64
CHRM2 P08172 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRA2A P08913 1/20 0.64
OPRK1 P41145 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
PARP1 P09874 1/20 0.55
TBXAS1 P24557 1/20 0.54
CTNNB1 P35222 1/20 0.51
HTR1A P08908 1/20 0.51
ALDH1A1 P00352 3/20 0.50
IRAK4 Q9NWZ3 1/20 0.50

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
SCHEMBL11552814 0.91 KMT2A (0.67) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL27967403 0.85 MAPT (0.58) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11547493 0.84 KDM4E (0.66) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL1894429 0.84 KMT2A (0.66) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL1257635 0.84 ALDH1A1 (0.71) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL73449 0.82 KDM4E (0.69) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL14157583 0.82 KMT2A (0.69) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL3352936 0.82 LMNA (0.79) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL1892934 0.82 KMT2A (0.64) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL7114649 0.82 LMNA (0.69) KMT2AMEN1LMNAKDM4EMAPT

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-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-6051605-A TREATING PSYCHOSIS AND SCHIZOPHRENIA USING A COMPOUND THAT IS AN ANTAGONIST OF DOPAMINE D4 RECEPTORS WARNER-LAMBERT COMPANY (US) 2000-04-18 US disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT KMT2A 597/4885MEN1 2052/4885LMNA 4872/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT KMT2A 660/4885MEN1 2267/4885LMNA 4882/4885

“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.