SCHEMBL9894581

SCHEMBL9894581

CC(C)(C)Cn1nnc2c(Br)c(Oc3nc4ccccc4cc3C(O)c3ccccc3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
TP53 P04637 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9897281 0.90 GRM2 (0.32) LMNAGRM2ALDH1A1GAA
SCHEMBL9896459 0.89 PPARG (0.33) LMNAGRM2HSD17B10KDM4EALDH1A1
SCHEMBL9895836 0.81 HSD17B10 (0.32) HSD17B10KDM4EALDH1A1GAA
SCHEMBL9898187 0.80 ALDH1A1 (0.44) NPSR1LMNASMN1; SMN2GRM2KDM4E
SCHEMBL9895967 0.80 KDM4E (0.35) NPSR1LMNASMN1; SMN2GRM2TP53
SCHEMBL9895685 0.76 GRM2 (0.42) GRM2HSD17B10
SCHEMBL9894954 0.75 GRM2 (0.39) LMNAGRM2ALDH1A1
SCHEMBL9897316 0.75 TRPA1 (0.41) LMNAGRM2ALDH1A1
SCHEMBL8512319 0.74 GRM2 (0.36) GRM2
SCHEMBL8512427 0.74 GRM2 (0.36) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 NPSR1 403/4885LMNA 4659/4885SMN1; 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.