SCHEMBL2778629

SCHEMBL2778629

O=C(O)NCCC(O)c1cccc(NCCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CNR1 P21554 1/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 6/20 0.43
KDM4A O75164 1/20 0.43
MMP8 P22894 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42

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
SCHEMBL2151341 0.86 LMNA (0.44) LMNACNR1KMT2ASMN1; SMN2KDM4E
SCHEMBL2150873 0.84 NAAA (0.46) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2151152 0.84 ADRB3 (0.42) ALDH1A1
SCHEMBL15576272 0.84 LMNA (0.47) LMNACNR1KMT2ASMN1; SMN2NPC1
SCHEMBL2778613 0.84 ADRB2 (0.46) KMT2ASMN1; SMN2KDM4EMEN1TP53
SCHEMBL27821339 0.81 LMNA (0.46) LMNACNR1KMT2ASMN1; SMN2NPC1
SCHEMBL2167897 0.79 LMNA (0.44) LMNACNR1KMT2ASMN1; SMN2NPC1
SCHEMBL2150978 0.79 CASR (0.39) LMNAKMT2AEPHX1MEN1
SCHEMBL2151078 0.79 L3MBTL1 (0.49) LMNAALDH1A1
SCHEMBL2150986 0.78 LMNA (0.44) LMNACNR1KMT2ASMN1; SMN2NPC1

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 6 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
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 LMNA 871/4885CNR1 1956/4885KMT2A 4546/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 LMNA 871/4885CNR1 1956/4885KMT2A 4546/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 LMNA 871/4885CNR1 1956/4885KMT2A 4546/4885

“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.