SCHEMBL4153235

SCHEMBL4153235

CC(C)(C)OC(=O)N1CCCC1C(O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 1/20 0.40
UCHL1 P09936 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP30 Q70CQ3 2/20 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
SCHEMBL1843454 0.88 KLK7 (0.45) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL28194949 0.88 KLK7 (0.45) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL13997813 0.88 KLK7 (0.45) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL29997863 0.88 KLK7 (0.45) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL10132323 0.86 NPSR1 (0.49) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL25971634 0.86 NPSR1 (0.49) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL4143386 0.86 GPR119 (0.47) NPC1GPR119UCHL1HSD17B10
SCHEMBL10132539 0.86 MAPT (0.45) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL10132285 0.85 ALDH1A1 (0.47) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL10132244 0.85 MEN1 (0.43) NPC1LMNANPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 US 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-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN NPC1 2112/4885LMNA 1076/4885NPSR1 3673/4885

“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.