SCHEMBL4945529

SCHEMBL4945529

CCn1c(SCN2C=C(c3cc(C)ccc3C#N)ON2)nnc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
TSHR P16473 5/20 0.44
HTT P42858 4/20 0.44
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 6/20 0.42
POLB P06746 3/20 0.42
HCRTR1 O43613 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL4947019 0.88 TSHR (0.47) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4947623 0.84 TSHR (0.46) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4946018 0.83 LMNA (0.46) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4945592 0.82 TSHR (0.45) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4940633 0.80 TSHR (0.51) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4945524 0.78 MAPT (0.33) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4939468 0.78 TSHR (0.47) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1544040 0.77 SMN1; SMN2 (0.50) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL4946042 0.77 MAPT (0.45) LMNATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL5489367 0.76 TSHR (0.49) LMNATSHRHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US 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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 LMNA 4509/4885TSHR 895/4885HTT 350/4885

“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.