SCHEMBL3559928

SCHEMBL3559928

O=CC1CCN(c2ccc(NC(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ME3 Q16798 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MCL1 Q07820 2/20 0.47
MAPT P10636 9/20 0.46
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
GFER P55789 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.45
GLA P06280 1/20 0.45
TP53 P04637 2/20 0.44

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
SCHEMBL30817330 0.80 GPR119 (0.48) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL12800742 0.80 USP2 (0.66) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL1852166 0.79 MAPT (0.66) SMN1; SMN2NPC1RAB9AMCL1MAPT
SCHEMBL3563390 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ME3NPC1RAB9AMCL1
SCHEMBL4972639 0.77 CYP1A2 (0.72) SMN1; SMN2NPC1RAB9AMCL1MAPT
SCHEMBL1443382 0.77 MBTD1 (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL19988167 0.76 CA12 (0.65) SMN1; SMN2ME3NPC1RAB9AMAPT
SCHEMBL1853814 0.76 MAPT (0.67) SMN1; SMN2NPC1RAB9AMCL1MAPT
Hydrochloric Acid SCHEMBL2366337 0.76 ADRB1 (0.47) SMN1; SMN2NPC1RAB9AMCL1MAPT
SCHEMBL25584839 0.75 SYK (0.41) SMN1; SMN2NPC1RAB9AMCL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 SMN1; SMN2 3642/4885ME3 3306/4885NPC1 538/4885

“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.