Sugi Predict

Sugi Predict / Compounds / SCHEMBL2582584

SCHEMBL2582584

SCHEMBL2582584

COC(=O)[C@H]1CC[C@H](c2noc(C)c2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ STAT3 P40763 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ STAT1 P42224 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TSHR P16473 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
SCHEMBL2582589 1.00 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2587909 0.85 ALDH1A1 (0.34) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2587912 0.85 ALDH1A1 (0.34) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2585558 0.84 ALDH1A1 (0.36) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2585557 0.84 ALDH1A1 (0.36) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL12181025 0.84 DUSP3 (0.36) NPC1RAB9AADORA1LMNASTAT3
SCHEMBL2576714 0.83 EPHX2 (0.35) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2576717 0.83 EPHX2 (0.35) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2583709 0.82 NPC1 (0.35) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2583707 0.82 NPC1 (0.35) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 — — EP disclosed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 — — EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 — — US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 — — US disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 — — US disclosed
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 — — EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 — — WO disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 — — US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 — — US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 — — 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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR SMN1; SMN2 3953/4885KMT2A 2969/4885MEN1 1691/4885

“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.