Sugi Predict

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SCHEMBL417689

SCHEMBL417689

CC(C)(C)OC(=O)N1CCN(c2ccccc2CNCC(=O)CCCSc2ccc(O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ BACE1 P56817 3/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ BCL2 P10415 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
SCHEMBL417265 0.90 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL417690 0.82 SMN1; SMN2 (0.39) ACHENAMPTBACE1PRMT5SMARCA2
SCHEMBL417691 0.76 MAPT (0.43) BACE1PRMT5SMARCA2SMARCA4PBRM1
SCHEMBL416461 0.74 ACHE (0.51) ACHENAMPTSMARCA2SMARCA4PBRM1
SCHEMBL417266 0.73 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL5343865 0.72 ACHE (0.46) ACHENAMPTSMARCA2SMARCA4PBRM1
SCHEMBL7981893 0.72 GAA (0.56) ACHENAMPTBACE1SMARCA2SMARCA4
SCHEMBL5338122 0.72 ACHE (0.49) ACHENAMPTSMARCA2SMARCA4PBRM1
SCHEMBL24641660 0.72 MEN1 (0.59) ACHEBACE1SMN1; SMN2KMT2AMEN1
SCHEMBL30017789 0.72 MEN1 (0.59) ACHEBACE1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 — — US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 — — EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 — — WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 — — EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ACHE 4296/4885NAMPT 481/4885BACE1 2685/4885

“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.