SCHEMBL15033993

SCHEMBL15033993

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3Cc4nc(C)sc4C3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 6/20 0.44
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DPP8 Q6V1X1 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL15033956 0.94 GRM5 (0.56) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033941 0.91 GRM5 (0.54) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033951 0.88 GRM5 (0.46) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15021049 0.81 GRM5 (0.51) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033972 0.80 GRM5 (0.62) GRM5MEN1KMT2AMAPTALDH1A1
SCHEMBL15033938 0.80 GRM5 (0.49) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033949 0.79 GRM5 (0.46) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033976 0.79 GRM5 (0.49) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033970 0.79 GRM5 (0.49) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033930 0.78 MAPT (0.42) GRM5SMN1; SMN2MEN1HPGDKMT2A

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-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885SMN1; SMN2 2379/4885MEN1 4793/4885

“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.