SCHEMBL716644

SCHEMBL716644

CCOC(=O)c1sc2cccnc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
LIMK1 P53667 1/20 0.48
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 1/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL3494660 0.87 LMNA (0.48) LMNALIMK1ALDH1A1KDM4EGAA
SCHEMBL3495987 0.86 LIMK1 (0.63) LMNALIMK1ALDH1A1KDM4EGAA
SCHEMBL1811307 0.85 LIMK1 (0.50) LMNALIMK1ALDH1A1KDM4EGAA
SCHEMBL4127206 0.82 ALDH1A1 (0.46) LMNALIMK1ALDH1A1KDM4EGAA
SCHEMBL5776212 0.79 LIMK1 (0.69) LMNALIMK1KDM4EGAAL3MBTL1
SCHEMBL719584 0.78 KDM4E (0.58) LMNALIMK1ALDH1A1KDM4EGAA
SCHEMBL23112007 0.76 ALDH1A1 (0.55) LMNAALDH1A1KDM4EGAAHSD17B10
SCHEMBL29513035 0.76 ALDH1A1 (0.64) LMNAALDH1A1KDM4EGAAHSD17B10
SCHEMBL9025206 0.76 ALDH1A1 (0.64) LMNAALDH1A1KDM4EGAAHSD17B10
SCHEMBL23635863 0.76 ALDH1A1 (0.46) LMNALIMK1ALDH1A1KDM4EGAA

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885LIMK1 4140/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885LIMK1 4140/4885ALDH1A1 504/4885

“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.