SCHEMBL2430488

SCHEMBL2430488

NC1CCN(S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA7 P43166 1/20 0.67
CA14 Q9ULX7 1/20 0.67
TSHR P16473 4/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL4724826 0.82 CA12 (1.00) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL8263003 0.79 CA12 (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL14699661 0.79 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL2422007 0.78 POLB (0.61) TSHRSMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL6557754 0.77 POLB (0.52) TSHRSMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL2420937 0.75 POLB (0.39) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27328188 0.75 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL3183107 0.75 TSHR (1.00) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27328264 0.75 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27838638 0.73 ALDH1A1 (0.43) CA12CA7TSHRSMN1; SMN2L3MBTL1

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
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
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 CA12 4793/4885CA7 4493/4885CA14 4841/4885

“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.