SCHEMBL9604252

SCHEMBL9604252

CCOC(=O)COc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL9604264 0.89 GRM2 (0.51) GRM2MEN1KMT2AKDM4EPOLB
SCHEMBL8511731 0.86 GRM2 (0.41) GRM2KMT2AALDH1A1HPGD
SCHEMBL8509657 0.86 GRM2 (0.54) GRM2MEN1KMT2AHPGD
SCHEMBL9604242 0.86 GRM2 (0.46) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9604326 0.86 GRM2 (0.46) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8511880 0.86 GRM2 (0.46) GRM2KDM4EALDH1A1
SCHEMBL8512917 0.85 GRM2 (0.51) GRM2KDM4EALDH1A1HPGDCASP1
SCHEMBL8509477 0.85 GRM2 (0.45) GRM2MEN1KMT2AMAPK1
SCHEMBL8510393 0.84 GRM2 (0.47) GRM2ALDH1A1
SCHEMBL8513278 0.83 GRM2 (0.47) GRM2MEN1KMT2ANPSR1MAPK1

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-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885MEN1 4800/4885KMT2A 327/4885

“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.