Sugi Predict

Sugi Predict / Compounds / SCHEMBL9895709

SCHEMBL9895709

SCHEMBL9895709

CC(C)(C)Cn1nnc2c(Br)c(Oc3ncccc3CN3CCN(S(C)(=O)=O)CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ HTT P42858 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP2D6 P10635 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LTA4H P09960 1/20 0.33
▸ MITF O75030 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL9895931 0.87 GRM2 (0.40) KDM4EHTTALOX15NPSR1CYP2D6
SCHEMBL9896083 0.87 DDR1 (0.35) KDM4EHTTALOX15NPSR1CYP2D6
SCHEMBL9897438 0.86 KMT2A (0.36) LTA4HKMT2A
SCHEMBL9895748 0.86 NPSR1 (0.34) KDM4EHTTALOX15NPSR1CYP2D6
SCHEMBL9897441 0.84 BCHE (0.32) KDM4EHTTSMN1; SMN2LMNAMAPT
SCHEMBL9895164 0.81 MEN1 (0.41) KDM4EMAPK1KMT2AMEN1
SCHEMBL9894978 0.79 GRM2 (0.35) KMT2AMEN1
SCHEMBL9894901 0.78 GRM2 (0.36) —
SCHEMBL9897069 0.76 GRM2 (0.42) BCHE
SCHEMBL9896361 0.76 GRM2 (0.34) NPC1RAB9A

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 1441/4885HTT 214/4885ALOX15 2390/4885

“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.