SCHEMBL13617745

SCHEMBL13617745

Cc1cccc(C)c1NC(=O)c1cccc(CCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
S1PR4 O95977 2/20 0.44
NQO2 P16083 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 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
SCHEMBL13862398 0.86 LCK (0.53) LCKSMN1; SMN2THRBCYP3A4S1PR4
SCHEMBL321825 0.83 SIGMAR1 (0.50) CYP3A4SIGMAR1NQO2MAPTATM
SCHEMBL5725025 0.82 CYP4F2 (0.60) SMN1; SMN2CYP3A4SIGMAR1NQO2MAPT
SCHEMBL31747308 0.82 CYP4F2 (0.60) SMN1; SMN2CYP3A4SIGMAR1NQO2MAPT
SCHEMBL31747309 0.82 FAAH (0.51) CYP3A4SIGMAR1NQO2MAPTATM
SCHEMBL10279349 0.80 SMN1; SMN2 (0.53) SMN1; SMN2THRBCYP3A4CYP2C9S1PR4
SCHEMBL16155837 0.80 MAPT (0.59) SMN1; SMN2CYP3A4SIGMAR1NQO2MAPT
SCHEMBL7283887 0.80 NQO2 (0.56) CYP3A4SIGMAR1NQO2MAPTATM
SCHEMBL31729994 0.78 NPSR1 (0.52) CYP3A4SIGMAR1MAPTATMCA1
SCHEMBL29347084 0.78 NPSR1 (0.52) CYP3A4SIGMAR1MAPTATMCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 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-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT LCK 3905/4885SMN1; SMN2 279/4885THRB 1129/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT LCK 3905/4885SMN1; SMN2 279/4885THRB 1129/4885

“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.