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SCHEMBL3567956

SCHEMBL3567956

O=C1NC(=O)c2ccc(I)cc2/C1=C/Nc1ccc(N2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ RAF1 P04049 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAP1LC3B Q9GZQ8 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ ARAF P10398 1/20 0.33
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL3567959 1.00 TRPV1 (0.35) TRPV1DDB1CRBNMAPTAPP
SCHEMBL3575077 0.88 JAK2 (0.40) MAPTAPPTDO2SMN1; SMN2CYP3A4
SCHEMBL3575074 0.88 JAK2 (0.40) MAPTAPPTDO2SMN1; SMN2CYP3A4
SCHEMBL3572777 0.87 DDB1 (0.51) DDB1CRBNMAPTSMN1; SMN2MEN1
SCHEMBL3572775 0.87 DDB1 (0.51) DDB1CRBNMAPTSMN1; SMN2MEN1
SCHEMBL3562129 0.87 DDB1 (0.42) DDB1CRBNMAPTAPPSYK
SCHEMBL3562125 0.87 DDB1 (0.42) DDB1CRBNMAPTAPPSYK
SCHEMBL3568382 0.86 KIT (0.36) MAPTAPPKDM4ERAF1LMNA
SCHEMBL3568379 0.86 KIT (0.36) MAPTAPPKDM4ERAF1LMNA
SCHEMBL3577840 0.85 MAPT (0.39) MAPTAPPKDM4EMEN1CYP3A4

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 claimed
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 claimed
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
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

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 TRPV1 1610/4885DDB1 133/4885CRBN 4711/4885

“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.