SCHEMBL6894880

SCHEMBL6894880

COc1ccccc1N1CCC(=O)C(Br)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 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
SCHEMBL8567660 0.81 ATM (0.58) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL8567665 0.81 ATM (0.58) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL16879853 0.78 ALOX5 (0.43) ALDH1A1GAAMGLLMAPTDRD2
SCHEMBL8152227 0.77 ATM (0.52) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL12017418 0.76 ATM (0.63) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL19327293 0.76 ATM (0.63) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL19858919 0.75 ATM (0.58) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL19327311 0.72 ATM (0.56) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL30160700 0.72 CRBN (0.65) ATMMEN1KMT2AALDH1A1POLB
SCHEMBL12989510 0.72 ATM (0.48) ATMMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO 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-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 ATM 3421/4885MEN1 4686/4885KMT2A 2483/4885

“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.