SCHEMBL4947623

SCHEMBL4947623

CCn1c(SCN2C=C(c3cc(C#N)ccc3F)ON2)nnc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 4/20 0.43
ALDH1A1 P00352 8/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ATM Q13315 1/20 0.41
HCRTR1 O43613 1/20 0.41
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL4946020 0.87 KMT2A (0.48) TSHRLMNAMAPTTP53HTT
SCHEMBL4945592 0.86 TSHR (0.45) TSHRLMNAMAPTPOLBTP53
SCHEMBL4941811 0.85 ALDH1A1 (0.45) TSHRLMNAMAPTPOLBTP53
SCHEMBL4946018 0.85 LMNA (0.46) TSHRLMNAMAPTPOLBTP53
SCHEMBL4945529 0.84 LMNA (0.44) TSHRLMNAMAPTPOLBTP53
SCHEMBL4940633 0.80 TSHR (0.51) TSHRLMNAMAPTPOLBTP53
SCHEMBL4947019 0.80 TSHR (0.47) TSHRLMNAMAPTPOLBTP53
SCHEMBL4947616 0.79 MAPT (0.35) TSHRLMNAMAPTPOLBTP53
SCHEMBL1543954 0.78 SMN1; SMN2 (0.49) TSHRLMNAMAPTPOLBTP53
SCHEMBL4947630 0.77 ALOX12 (0.48) TSHRLMNAMAPTPOLBHTT

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 4509/4885MAPT 780/4885

“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.