SCHEMBL2228382

SCHEMBL2228382

CCCN(C)C(=O)c1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
TP53 P04637 1/20 0.55
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
HSP90AA1 P07900 1/20 0.46
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CRHR1 P34998 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL10330507 0.90 KMT2A (0.59) KMT2ATP53TSHRMAPK1HSP90AA1
SCHEMBL10330500 0.88 KMT2A (0.58) KMT2ATP53TSHRMAPK1HSP90AA1
SCHEMBL10269519 0.86 KMT2A (0.63) KMT2ATP53TSHRMAPK1HPGD
SCHEMBL15343524 0.85 KMT2A (0.67) KMT2ATP53TSHRMAPK1HSP90AA1
SCHEMBL14454157 0.84 KMT2A (0.61) KMT2ATP53TSHRMAPK1HSP90AA1
SCHEMBL15108850 0.84 KMT2A (0.61) KMT2ATP53TSHRMAPK1HSP90AA1
SCHEMBL10330501 0.84 TP53 (0.79) KMT2ATP53TSHRMAPK1ERCC5
SCHEMBL4559654 0.83 KMT2A (0.49) KMT2ATP53TSHRMAPK1HSP90AA1
SCHEMBL30514751 0.83 KMT2A (0.59) KMT2ATP53TSHRMAPK1HPGD
SCHEMBL5127220 0.82 TP53 (0.59) KMT2ATP53TSHRHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668154-B1 FORMULATION COMPONENT SYNGENTA LTD (GB) 2018-03-21 EP disclosed
US-20160113271-A1 FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2016-04-28 US disclosed
US-20160113271-A1 FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2016-04-28 US disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20140051580-A1 FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2014-02-20 US disclosed
US-20140051580-A1 FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2014-02-20 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
US-20120184438-A1 FORMULATIONS SYNGENTA CROP PROTECTION, LLC (US) 2012-07-19 US disclosed
US-20120184438-A1 FORMULATIONS SYNGENTA CROP PROTECTION, LLC (US) 2012-07-19 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
WO-2011010082-A2 FORMULATIONS SYNGENTA LIMITED (GB) 2011-01-27 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 (4 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B KMT2A 1229/4885TP53 2506/4885TSHR 3909/4885
US-20160113271-A1 FORMULATION COMPONENT BCHE, HRH4, TBCB KMT2A 1326/4885TP53 2231/4885TSHR 3646/4885
US-20120184438-A1 FORMULATIONS CBR3, H1-5, H1-0 KMT2A 460/4885TP53 3812/4885TSHR 1688/4885
US-20140051580-A1 FORMULATION COMPONENT BCHE, HRH4, TBCB KMT2A 1326/4885TP53 2231/4885TSHR 3646/4885

“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.