SCHEMBL4945592

SCHEMBL4945592

CCn1c(SCN2C=C(c3cccc(C#N)c3)ON2)nnc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.43
HCRTR1 O43613 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 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
SCHEMBL4947630 0.91 ALOX12 (0.48) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4946018 0.87 LMNA (0.46) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4947623 0.86 TSHR (0.46) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4938300 0.85 MAPT (0.46) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL4939468 0.83 TSHR (0.47) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4947514 0.82 TSHR (0.38) TSHRLMNAALDH1A1MAPTCYP1A2
SCHEMBL4945529 0.82 LMNA (0.44) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL5489367 0.82 TSHR (0.49) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4946042 0.81 MAPT (0.45) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4940455 0.79 ALOX12 (0.53) TSHRLMNAALDH1A1SMN1; SMN2MAPT

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 TSHR 895/4885LMNA 4509/4885HTT 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.