SCHEMBL10167433

SCHEMBL10167433

O=C(CO)C1CCN(S(=O)(=O)c2ccc3cnccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
F10 P00742 1/20 0.51
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.47
JAK2 O60674 2/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
JAK3 P52333 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 3/20 0.46
MCOLN3 Q8TDD5 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.43

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
SCHEMBL568073 0.83 PKM (0.62) LMNATSHRUSP2MAPK1HSD17B10
Hydrochloric Acid SCHEMBL567229 0.82 PKM (0.61) LMNATSHRUSP2MAPK1HSD17B10
SCHEMBL567398 0.81 NAMPT (0.52) LMNATSHRUSP2MAPK1HSD17B10
Hydrochloric Acid SCHEMBL567326 0.80 NAMPT (0.51) LMNATSHRUSP2MAPK1HSD17B10
SCHEMBL566197 0.79 AKR1C3 (0.50) LMNAF10AKR1C3AKR1C1ATM
SCHEMBL566198 0.79 AKR1C3 (0.50) LMNAF10AKR1C3AKR1C1ATM
Hydrochloric Acid SCHEMBL567123 0.78 AKR1C3 (0.49) LMNAF10AKR1C3AKR1C1ATM
Hydrochloric Acid SCHEMBL567122 0.78 AKR1C3 (0.49) LMNAF10AKR1C3AKR1C1ATM
SCHEMBL567670 0.76 AKR1C3 (0.47) LMNATSHRUSP2MAPK1HSD17B10
SCHEMBL567669 0.76 AKR1C3 (0.47) LMNATSHRUSP2MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
WO-2010146881-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE 株式会社デ・ウエスタン・セラピテクス研究所 (JP) 2010-12-23 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 LMNA 1798/4885TSHR 2382/4885USP2 3276/4885

“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.