Sugi Predict

Sugi Predict / Compounds / SCHEMBL9895967

SCHEMBL9895967

SCHEMBL9895967

CC(C)(C)Cn1nnc2c(Br)c(Oc3nc4ccccc4cc3C#N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ AR P10275 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GRM2 Q14416 3/20 0.31
▸ TP53 P04637 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
SCHEMBL9896697 0.83 GRM2 (0.37) KDM4ELMNANPSR1TSHRSMN1; SMN2
SCHEMBL9898187 0.83 ALDH1A1 (0.44) KDM4ELMNANPSR1SMN1; SMN2KMT2A
SCHEMBL9895836 0.82 HSD17B10 (0.32) KDM4EHSD17B10ALDH1A1GAA
SCHEMBL9897281 0.82 GRM2 (0.32) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL9926785 0.82 GRM2 (0.34) ARGRM2
SCHEMBL9896459 0.81 PPARG (0.33) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL9895649 0.81 GRM2 (0.35) KDM4ELMNANPSR1KMT2AMEN1
SCHEMBL9895582 0.80 SMN1; SMN2 (0.49) KDM4ELMNASMN1; SMN2RECQLKMT2A
SCHEMBL9894581 0.80 NPSR1 (0.32) KDM4ELMNANPSR1SMN1; SMN2HSD17B10
SCHEMBL9894676 0.80 XDH (0.35) SMN1; SMN2AR

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-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US 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 KDM4E 1441/4885LMNA 4659/4885NPSR1 403/4885

“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.