SCHEMBL2426907

SCHEMBL2426907

NC1CCN(S(=O)(=O)CCN2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
PARP1 P09874 4/20 0.35
IKBKB O14920 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LOX P28300 1/20 0.31

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
SCHEMBL2431419 0.98 ALOX15 (0.45) ALOX15SMN1; SMN2SMYD3GNAI3GNAO1
SCHEMBL13993559 0.82 ALOX15 (0.49) ALOX15SMN1; SMN2SMYD3HRH3TSHR
SCHEMBL22339879 0.77 SMYD3 (0.40) ALOX15SMYD3IKBKBEPHX2
SCHEMBL2429930 0.77 GNAI3 (0.42) ALOX15SMN1; SMN2SMYD3GNAI3GNAO1
SCHEMBL5006783 0.76 ALDH1A1 (0.36) ALOX15TSHREPHX2L3MBTL1
SCHEMBL1516954 0.76 ALDH1A1 (0.50) ALOX15SMN1; SMN2L3MBTL1
SCHEMBL695370 0.74 KDM4E (0.44) ALOX15SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL4194787 0.74 PARP1 (0.39) ALOX15SMN1; SMN2SMYD3PARP1HRH3
SCHEMBL6946272 0.74 GNAI3 (0.52) GNAI3GNAO1GNAI1HRH3TSHR
SCHEMBL24571244 0.73 EPHX2 (0.40) SMYD3GNAI3GNAO1GNAI1EPHX2

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
WO-2021254384-A1 NOVEL PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVE 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
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
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 3014/4885SMYD3 3290/4885

“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.