SCHEMBL2158195

SCHEMBL2158195

CCCC(O)(CCC)CNc1cccc(CCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP1B1 Q16678 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ACHE P22303 4/20 0.39

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
SCHEMBL2150690 0.94 TDP1 (0.46) TDP1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL15946009 0.81 HDAC4 (0.48)
SCHEMBL2202635 0.79 RAB9A (0.45) TDP1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL2157970 0.78 TDP1 (0.46) TDP1L3MBTL1POLBMAPK1CYP1B1
SCHEMBL2159068 0.78 TDP1 (0.57) TDP1L3MBTL1POLBCYP1B1ACHE
SCHEMBL2150910 0.78 HTR6 (0.43) TLR8
SCHEMBL10352124 0.76 TDP1 (0.60) TDP1L3MBTL1CYP1B1MAOBACHE
SCHEMBL614087 0.76 TDP1 (0.48) TDP1L3MBTL1MAPK1CYP1B1MAOB
SCHEMBL2150855 0.76 TDP1 (0.51) TDP1L3MBTL1HPGDSMN1; SMN2ACHE
SCHEMBL15946007 0.75 HDAC4 (0.46) MAPK1HPGD

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 TDP1 1421/4885L3MBTL1 4107/4885CYP3A4 4413/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TDP1 1421/4885L3MBTL1 4107/4885CYP3A4 4413/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TDP1 1421/4885L3MBTL1 4107/4885CYP3A4 4413/4885

“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.