SCHEMBL2430641

SCHEMBL2430641

CC(C)NS(=O)(=O)N1CCC(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.33
EPHX2 P34913 2/20 0.33
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.30
MMP1 P03956 1/20 0.30

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
SCHEMBL25537327 0.82 MEN1 (0.44) EPHX2TSHR
SCHEMBL23464924 0.81 KMT2A (0.38) TSHR
SCHEMBL21885829 0.81 HSD11B1 (0.38) EPHX2TSHRTP53MMP1
SCHEMBL8044173 0.79 FKBP1A (0.41) TSHR
SCHEMBL8084486 0.79 GAA (0.39) TSHR
SCHEMBL2424959 0.78 CCNE1 (0.33) SMYD3TP53
SCHEMBL13956959 0.77 FKBP1A (0.44) TSHR
Hydrochloric Acid SCHEMBL31722161 0.76 GNAI3 (0.32) SMYD3TP53
SCHEMBL20942743 0.74 TSHR (0.40) EPHX2TSHRTP53
SCHEMBL7920915 0.74 POLB (0.37) TSHR

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-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
CN-102171204-A 8-substituted isoquinoline derivative and application thereof ASAHI KASEI PHARMA CORP 2011-08-31 CN disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 SMYD3 3290/4885EPHX2 3226/4885TSHR 4176/4885

“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.