SCHEMBL2428641

SCHEMBL2428641

NC1CCN(S(=O)(=O)CC2CCCO2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 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
SCHEMBL22613648 0.80 MGLL (0.43) PKMHPGDTSHRALDH1A1LMNA
SCHEMBL27034818 0.74 JAK2 (0.42) TSHRALDH1A1LMNASMYD3SMN1; SMN2
SCHEMBL2424972 0.74 JAK2 (0.42) TSHRSMYD3
SCHEMBL2424805 0.73 JAK2 (0.46) SMYD3
SCHEMBL27075429 0.73 JAK2 (0.41) TSHRSMYD3
SCHEMBL18665524 0.71 ALDH1A1 (0.40) PKMHPGDTSHRALDH1A1LMNA
SCHEMBL695370 0.70 KDM4E (0.44) PKMTSHRALDH1A1LMNAMAPT
SCHEMBL2553836 0.70 SIGMAR1 (0.43) PKMTSHRALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29903895 0.69 KDM4E (0.43) PKMTSHRALDH1A1LMNAMAPT
SCHEMBL5006783 0.68 ALDH1A1 (0.36) TSHRALDH1A1LMNAMAPTRAB9A

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
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 — — US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 — — WO 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 PKM 3534/4885HPGD 1893/4885TSHR 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.

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