SCHEMBL11903558

SCHEMBL11903558

NC(=O)Oc1ccc([CH]CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MEN1 O00255 3/20 0.44
KIF11 P52732 1/20 0.43
PARP10 Q53GL7 2/20 0.41
PARP3 Q9Y6F1 1/20 0.41
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
TTR P02766 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 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
SCHEMBL14785651 0.87 KMT2A (0.43) KMT2AMEN1KIF11PARP10PARP3
SCHEMBL10081937 0.82 KMT2A (0.58) KMT2AMEN1KIF11PARP10PARP3
SCHEMBL15797873 0.80 KMT2A (0.41) KMT2AMEN1KIF11PARP10PARP3
SCHEMBL6284986 0.78 KMT2A (0.64) KMT2AMEN1KIF11PARP10MAPT
SCHEMBL15798252 0.78 MAPK1 (0.51) KMT2AMEN1MAPTKDM4ETP53
SCHEMBL28636841 0.77 PARP10 (0.68) KMT2AMEN1KIF11PARP10PARP3
SCHEMBL1883642 0.76 KMT2A (0.47) KMT2AMEN1KIF11PARP10PARP3
SCHEMBL3964510 0.76 F3 (0.50) KMT2APARP10MAPTALDH1A1GSK3B
SCHEMBL14480241 0.75 NNMT (0.37) KMT2AMEN1PARP10PARP3MAPT
SCHEMBL11375698 0.74 KMT2A (0.45) KMT2AMEN1KIF11PARP10PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-11-05 US claimed
EP-2928860-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2015-10-14 EP claimed
WO-2014090731-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-06-19 WO claimed
EP-2888247-B1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2020-03-25 EP disclosed
US-9388171-B2 Serine/threonine kinase inhibitors GENETECH, INC. (US) 2016-07-12 US disclosed
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-11-05 US disclosed
EP-2928860-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2015-10-14 EP disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 EP disclosed
WO-2014090731-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-06-19 WO disclosed
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-06 US disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 WO disclosed
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP 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-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 KMT2A 1874/4885MEN1 4143/4885KIF11 2813/4885
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 KMT2A 1752/4885MEN1 1200/4885KIF11 2689/4885

“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.