SCHEMBL528393

SCHEMBL528393

CC(=O)NCCOc1cccc(C=O)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.68
MTNR1B P49286 11/20 0.68
L3MBTL1 Q9Y468 1/20 0.57
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.51
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL5014995 0.83 MAOA (0.52) MTNR1AMTNR1BL3MBTL1MAPK1MAOA
SCHEMBL8705236 0.83 CA12 (0.53) MTNR1AMTNR1BMAOAMAOBPOLB
SCHEMBL6219785 0.82 RAB9A (0.69) LMNAMAOAMAOBALDH1A1POLB
SCHEMBL23140741 0.82 MTNR1A (0.69) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL9458509 0.81 RECQL (0.47) MTNR1AMTNR1BL3MBTL1MAPK1MAOA
SCHEMBL11671018 0.81 MAOA (0.53) MAPK1MAOAMAOB
SCHEMBL21597985 0.80 CNR2 (0.52)
SCHEMBL527911 0.79 MAOA (0.51) MTNR1AMTNR1BL3MBTL1MAOAMAOB
SCHEMBL22816591 0.79 MTNR1A (0.71) MTNR1AMTNR1BL3MBTL1USP2ALOX15
SCHEMBL16744389 0.79 MTNR1A (0.71) MTNR1AMTNR1BL3MBTL1USP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 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 (1 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-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS ROCK1, ROCK2, CIT MTNR1A 1002/4885MTNR1B 830/4885L3MBTL1 4254/4885

“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.