Sugi Predict

Sugi Predict / Compounds / SCHEMBL8510467

SCHEMBL8510467

SCHEMBL8510467

CC(C)(C)Cn1nnc2c(Br)c(OCc3ccccc3Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 12/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL8513028 0.89 PTGER1 (0.39) GRM2ALDH1A1SMN1; SMN2FFAR4LMNA
SCHEMBL8510785 0.89 GRM2 (0.45) GRM2ALDH1A1NPC1MAPTHTT
SCHEMBL8512346 0.87 FFAR1 (0.39) GRM2FFAR4MAPK1IDO1
SCHEMBL8513629 0.86 BRD4 (0.43) GRM2NPC1MAPTRAB9ALMNA
SCHEMBL8508974 0.86 GRM2 (0.35) GRM2
SCHEMBL8510372 0.84 GRM2 (0.38) GRM2
SCHEMBL8510317 0.83 SYK (0.38) GRM2
SCHEMBL8512873 0.82 GRM2 (0.42) GRM2SMN1; SMN2LMNATSHR
SCHEMBL8509112 0.81 GRM2 (0.38) GRM2NPC1RAB9A
SCHEMBL8511158 0.81 PTGER1 (0.41) GRM2ALDH1A1MAPTHTTSMN1; SMN2

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 8 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 claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 — — US claimed
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-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
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 1/4885ALDH1A1 3327/4885NPC1 2352/4885

“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.