SCHEMBL2178508

SCHEMBL2178508

CN(c1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1)C1(O)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
DRD2 P14416 6/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HIF1A Q16665 1/20 0.37
PARP1 P09874 1/20 0.37
NQO2 P16083 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDK2 Q15119 1/20 0.35
BCHE P06276 1/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL3134382 0.99 KDM4E (0.41) KDM4EDRD2ALDH1A1MAPTHPGD
SCHEMBL2151205 0.85 KDM4E (0.44) KDM4EALDH1A1MAPTSIGMAR1LMNA
SCHEMBL2150649 0.84 KDM4E (0.46) KDM4EALDH1A1MAPTSIGMAR1LMNA
SCHEMBL2173930 0.80 MALT1 (0.36) DRD2GAANQO2CA1CA2
SCHEMBL3124904 0.79 CYP3A4 (0.38) KDM4EDRD2GAANQO2MALT1
SCHEMBL2151028 0.79 KDM4E (0.43) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL3128178 0.79 USP30 (0.39) KDM4EDRD2PARP1NQO2CA1
SCHEMBL3388612 0.78 CA1 (0.43) KDM4EDRD2ALDH1A1MAPTHPGD
SCHEMBL2150964 0.78 KDM4E (0.44) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL2178511 0.78 CA1 (0.40) KDM4EDRD2ALDH1A1MAPTHPGD

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 KDM4E 4575/4885DRD2 2075/4885ALDH1A1 777/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 KDM4E 4575/4885DRD2 2075/4885ALDH1A1 777/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 KDM4E 4575/4885DRD2 2075/4885ALDH1A1 777/4885

“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.