SCHEMBL9329422

SCHEMBL9329422

O=C(O)[C@@H](O)c1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
ALOX5 P09917 1/20 0.49
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
DAO P14920 1/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL200194 1.00 LMNA (0.52) LMNAMAPK1ALOX5LCKFYN
SCHEMBL11520740 0.81 ALOX5 (0.47) LMNAMAPK1ALOX5LCKFYN
SCHEMBL10759383 0.81 ALOX5 (0.56) ALOX5LCKFYNDAOCES2
SCHEMBL14416057 0.81 ALOX5 (0.51) LMNAMAPK1ALOX5LCKFYN
SCHEMBL18734632 0.80 CYP2D6 (0.50) LMNAMAPK1ALOX5LCKFYN
SCHEMBL162736 0.80 SRC (0.50) LMNAMAPK1ALOX5LCKFYN
SCHEMBL14671259 0.79 ALOX5 (0.42) LMNAMAPK1ALOX5LCKFYN
SCHEMBL18169428 0.79 ALOX5 (0.42) LMNAMAPK1ALOX5LCKFYN
SCHEMBL6775406 0.79 CES2 (0.63) LMNAMAPK1ALOX5LCKFYN
Hydrochloric Acid SCHEMBL11244144 0.78 SRC (0.48) ALOX5LCKFYNDAOCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657227-B1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-04-27 EP disclosed
EP-2657227-B1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-04-27 EP disclosed
CN-103270024-B Novel substituted isoquinoline derivative WESTERN THERAPEUTICS INST INC 2015-07-08 CN disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 US disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 US disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 US disclosed
EP-2657227-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2013-10-30 EP disclosed
EP-2657227-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2013-10-30 EP disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 US disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 US disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 US disclosed
CN-103270024-A Novel substituted isoquinoline derivative WESTERN THERAPEUTICS INST INC 2013-08-28 CN disclosed
EP-0424021-B1 Antimuscarinic bronchodilators PFIZER LTD (GB) 1994-03-02 EP disclosed
US-5171744-A Antimuscarinic bronchodilators PFIZER INC. (US) 1992-12-15 US disclosed
EP-0424021-A1 Antimuscarinic bronchodilators Pfizer Limited (GB) 1991-04-24 EP 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-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT2A1, SULT1A1, SFPQ LMNA 4114/4885MAPK1 2444/4885ALOX5 1585/4885

“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.