SCHEMBL2422007

SCHEMBL2422007

NC1CCN(S(=O)(=O)N2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
TSHR P16473 4/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 8/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6557754 0.93 POLB (0.52) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL5280013 0.80 POLB (0.93) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL29905605 0.80 POLB (0.93) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL2420937 0.78 POLB (0.39) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL2430488 0.78 CA12 (0.67) POLBTSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1546827 0.77 POLB (0.87) POLBTSHRKMT2AALDH1A1HPGD
SCHEMBL932571 0.75 CA1 (0.50) CA1CA2
SCHEMBL21510037 0.75 PSEN1 (0.42) KMT2ALMNAMEN1
SCHEMBL19710564 0.75 PSEN1 (0.42) KMT2ALMNAMEN1
SCHEMBL7955480 0.74 POLB (0.56) POLBTSHRKMT2AALDH1A1HPGD

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 POLB 2776/4885TSHR 4176/4885KMT2A 637/4885

“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.