SCHEMBL3116142

SCHEMBL3116142

Cc1cccc(-c2cc(C(C)Sc3nnc(-c4cc[nH]c(=O)c4)n3C)no2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.58
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RXFP1 Q9HBX9 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL13101139 1.00 GRM5 (0.58) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3121588 0.87 GRM5 (0.69) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3121575 0.87 GRM5 (0.69) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3109955 0.84 GRM5 (0.57) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3109950 0.84 GRM5 (0.57) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3113546 0.83 GRM5 (0.59) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3113555 0.83 GRM5 (0.59) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL2921700 0.80 GRM5 (0.57) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3110804 0.75 GRM5 (0.59) GRM5KMT2ANPSR1LMNAALDH1A1
SCHEMBL3110795 0.75 GRM5 (0.59) GRM5KMT2ANPSR1LMNAALDH1A1

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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed

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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 GRM5 1/4885KMT2A 3358/4885NPSR1 189/4885

“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.