SCHEMBL566974

SCHEMBL566974

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc3c[n+]([O-])ccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.50
F13A1 P00488 8/20 0.50
TGM1 P22735 5/20 0.48
PKM P14618 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 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
SCHEMBL567802 0.83 MMP13 (0.51)
SCHEMBL567801 0.83 MMP13 (0.51)
SCHEMBL568155 0.82 ATM (0.50) TGM2F13A1TGM1PKMLMNA
SCHEMBL6790392 0.82 PKM (0.65) TGM2F13A1TGM1PKMMEN1
SCHEMBL567453 0.82 MMP1 (0.44) TGM2F13A1
SCHEMBL567454 0.82 MMP1 (0.44) TGM2F13A1
SCHEMBL567096 0.81 MMP1 (0.49) LMNA
SCHEMBL567097 0.81 MMP1 (0.49) LMNA
SCHEMBL567385 0.80 ATM (0.50) TGM2F13A1TGM1PKMMEN1
SCHEMBL5202414 0.80 STS (0.57) TGM2F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 TGM2 3697/4885F13A1 2247/4885TGM1 2500/4885

“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.