SCHEMBL2431419

SCHEMBL2431419

NC1CCN(S(=O)(=O)CCN2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 4/20 0.37
SMYD3 Q9H7B4 1/20 0.36
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
IKBKB O14920 3/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2426907 0.98 ALOX15 (0.46) ALOX15SMN1; SMN2PARP1SMYD3EPHX2
SCHEMBL13993559 0.81 ALOX15 (0.49) ALOX15SMN1; SMN2SMYD3HRH3TSHR
SCHEMBL22339879 0.76 SMYD3 (0.40) ALOX15SMYD3EPHX2IKBKBALDH1A1
SCHEMBL2429930 0.76 GNAI3 (0.42) ALOX15SMN1; SMN2SMYD3GNAI3GNAO1
SCHEMBL4205217 0.75 PARP1 (0.41) ALOX15SMN1; SMN2PARP1L3MBTL1HRH3
SCHEMBL2761704 0.75 GNAI3 (0.50) L3MBTL1GNAI3GNAO1GNAI1HRH3
SCHEMBL2761795 0.75 GNAI3 (0.50) L3MBTL1GNAI3GNAO1GNAI1HRH3
SCHEMBL5006783 0.74 ALDH1A1 (0.36) ALOX15EPHX2L3MBTL1TSHRALDH1A1
SCHEMBL1516954 0.74 ALDH1A1 (0.50) ALOX15SMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL914047 0.73 GNAI3 (0.53) L3MBTL1GNAI3GNAO1GNAI1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171204-B 8-substituted isoquinoline derivative and application thereof ASAHI KASEI PHARMA CORP 2014-08-20 CN disclosed
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 ALOX15 1967/4885SMN1; SMN2 3014/4885PARP1 1543/4885

“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.