SCHEMBL655761

SCHEMBL655761

COC(=O)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UCHL1 P09936 2/20 0.42
USP30 Q70CQ3 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ACKR3 P25106 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RIPK1 Q13546 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL655760 1.00 NPC1 (0.44) NPC1LMNANPSR1UCHL1USP30
SCHEMBL657227 0.90 NPC1 (0.43) NPC1LMNANPSR1UCHL1USP30
SCHEMBL657228 0.90 NPC1 (0.43) NPC1LMNANPSR1UCHL1USP30
SCHEMBL29330281 0.87 NPC1 (0.40) NPC1LMNANPSR1UCHL1USP30
SCHEMBL29330282 0.84 ACKR3 (0.42) NPC1LMNANPSR1UCHL1L3MBTL1
SCHEMBL15240571 0.81 UCHL1 (0.46) NPC1LMNANPSR1UCHL1USP30
SCHEMBL2137255 0.79 NPSR1 (0.43) NPC1LMNANPSR1UCHL1USP30
SCHEMBL29001990 0.79 NPC1 (0.58) NPC1LMNANPSR1UCHL1USP30
SCHEMBL29001992 0.79 NPC1 (0.58) NPC1LMNANPSR1UCHL1USP30
SCHEMBL29330250 0.78 UCHL1 (0.43) NPC1LMNANPSR1UCHL1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 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-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 NPC1 1897/4885LMNA 302/4885NPSR1 4701/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 NPC1 1897/4885LMNA 302/4885NPSR1 4701/4885

“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.