SCHEMBL3566534

SCHEMBL3566534

Cc1c(OCCN2CCOCC2)ccc(C(=O)O)c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 3/20 0.48
THRB P10828 1/20 0.47
P2RY12 Q9H244 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 2/20 0.45
HTR2A P28223 1/20 0.45
SYK P43405 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7291643 0.83 MEN1 (0.57) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL5373340 0.80 POLB (0.49) MEN1KMT2APOLBALDH1A1CNR1
SCHEMBL2426365 0.77 KDM4E (0.54) MEN1KMT2APOLBALDH1A1CNR1
SCHEMBL7290977 0.77 POLB (0.52) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL6042440 0.75 POLB (0.68) MEN1KMT2APOLBALDH1A1CNR1
SCHEMBL2788543 0.75 CNR1 (0.72) POLBCNR1CNR2KDM4E
SCHEMBL7966385 0.74 CNR1 (0.50) MEN1KMT2APOLBALDH1A1CNR1
Hydrochloric Acid SCHEMBL8710909 0.74 DRD2 (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL19859004 0.74 TSHR (0.68) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL3569092 0.74 KDM4E (0.65) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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 MEN1 1015/4885KMT2A 1053/4885POLB 2182/4885

“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.