SCHEMBL1198069

SCHEMBL1198069

CCOC(=O)c1cc(C)nn1CC(N)=S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL13170000 0.84 SMN1; SMN2 (0.46) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL1198071 0.84 LMNA (0.58) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL6188814 0.82 MAPT (0.52) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL23138505 0.80 SMN1; SMN2 (0.43) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL18718147 0.79 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL1279630 0.78 SMN1; SMN2 (0.42) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL18718164 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL1198660 0.77 NPC1 (0.42) POLBLMNAALDH1A1KDM4EPKM
SCHEMBL2355085 0.77 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1LMNAALDH1A1
SCHEMBL23138330 0.77 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1LMNAALDH1A1

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A SMN1; SMN2 2057/4885POLB 4137/4885TDP1 1974/4885

“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.