Sugi Predict

Sugi Predict / Compounds / SCHEMBL8511158

SCHEMBL8511158

SCHEMBL8511158

CC(C)(C)Cn1nnc2c(Br)c(OCc3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 6/20 0.41
▸ HDAC8 Q9BY41 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC9A1 P19634 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL8513859 0.92 HTR2A (0.39) PTGER1SMN1; SMN2GRM2KMT2AHTR2A
SCHEMBL8513028 0.87 PTGER1 (0.39) PTGER1HDAC8SMN1; SMN2GRM2TSHR
SCHEMBL8508980 0.84 GRM2 (0.37) SMN1; SMN2GRM2HTR2AHTR2CSLC6A4
SCHEMBL8510467 0.81 GRM2 (0.39) SMN1; SMN2MAPK1GRM2TSHRMAPT
SCHEMBL8510785 0.79 GRM2 (0.45) SMN1; SMN2GRM2KMT2AHTR2AHTR2C
SCHEMBL8512873 0.78 GRM2 (0.42) SMN1; SMN2GRM2TSHRKMT2APOLB
SCHEMBL8510372 0.78 GRM2 (0.38) GRM2
SCHEMBL8513629 0.78 BRD4 (0.43) PTGER1MAPK1GRM2TSHRMAPT
SCHEMBL8512391 0.78 GRM2 (0.47) SMN1; SMN2GRM2KMT2AMAPTKDM4E
SCHEMBL8508974 0.78 GRM2 (0.35) GRM2

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 PTGER1 618/4885HDAC8 1085/4885SMN1; SMN2 1334/4885

“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.