SCHEMBL3573116

SCHEMBL3573116

CON=Cc1ccc(OCCN2CCCC2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
POLB P06746 3/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ACHE P22303 4/20 0.47
BCHE P06276 2/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
ASF1A Q9Y294 1/20 0.46
GFER P55789 1/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
MAOB P27338 2/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL13343600 1.00 SRC (0.51) SRCPOLBGAAMEN1MAPT
SCHEMBL3564150 0.82 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ACHEBCHE
SCHEMBL3567854 0.81 SRC (0.59) SRCGAAMEN1MAPTKMT2A
SCHEMBL3569521 0.81 SRC (0.59) SRCGAAMEN1MAPTHPGD
SCHEMBL3569523 0.81 SRC (0.59) SRCGAAMEN1MAPTHPGD
SCHEMBL3567856 0.81 SRC (0.59) SRCGAAMEN1MAPTKMT2A
SCHEMBL3564946 0.75 SRC (0.55) SRCGAAMAPTKMT2ASMN1; SMN2
SCHEMBL3564947 0.75 SRC (0.55) SRCGAAMAPTKMT2ASMN1; SMN2
SCHEMBL12756980 0.75 CYP1A2 (0.74) SRCGAAMAPTKMT2ASMN1; SMN2
SCHEMBL4485237 0.74 SMN1; SMN2 (0.51) MEN1HTTKMT2ASMN1; SMN2KDM4E

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 SRC 2018/4885POLB 2182/4885GAA 3488/4885

“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.