SCHEMBL1478239

SCHEMBL1478239

C=Cc1cccc(F)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
NFE2L2 Q16236 3/20 0.45
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
ALDH1A1 P00352 2/20 0.37
IKBKB O14920 1/20 0.35
PTGS2 P35354 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL652253 0.85 ERN1 (0.59) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL16933848 0.85 NFE2L2 (0.50) ERN1NFE2L2ALDH1A1IKBKBHPGD
SCHEMBL28966086 0.84 MEN1 (0.46) ERN1MEN1KMT2ATDP1LMNA
SCHEMBL1990145 0.83 ERN1 (0.53) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL95708 0.79 ERN1 (0.50) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL30035291 0.76 KMT2A (0.48) ERN1MEN1KMT2ATDP1LMNA
SCHEMBL9560195 0.76 KMT2A (0.48) ERN1MEN1KMT2ATDP1LMNA
SCHEMBL8702525 0.75 ERN1 (0.53) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL13708150 0.75 ERN1 (0.52) ERN1NFE2L2MEN1KMT2ATDP1
SCHEMBL16790878 0.75 ALDH1A1 (0.50) ERN1MEN1KMT2ATDP1LMNA

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-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
CN-101277939-A Acyclic ikur inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-10-01 CN disclosed
EP-1922311-A2 ACYCLIC IKUR INHIBITORS Brystol-Myers Squibb Company (US) 2008-05-21 EP disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 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 (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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 ERN1 362/4885NFE2L2 2562/4885MEN1 3458/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 ERN1 362/4885NFE2L2 2562/4885MEN1 3458/4885

“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.