SCHEMBL13629842

SCHEMBL13629842

CN(C)[C@@H]1CCN(C2=NC(=O)/C(=C\c3ccccc3O)S2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP1 Q9P0U3 1/20 0.62
▸ AMY1A P0DUB6 1/20 0.61
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ PIM1 P11309 1/20 0.53
▸ PIM3 Q86V86 1/20 0.53
▸ PIM2 Q9P1W9 1/20 0.53
▸ RAB9A P51151 2/20 0.47
▸ GFER P55789 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ DCTPP1 Q9H773 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL13616315 1.00 SENP1 (0.62) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL4341594 1.00 SENP1 (0.62) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL4351015 1.00 SENP1 (0.62) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL4351018 1.00 SENP1 (0.62) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL4341599 1.00 SENP1 (0.62) SENP1AMY1AKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL4348249 0.99 SENP1 (0.61) SENP1AMY1AKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL4348254 0.99 SENP1 (0.61) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL13630355 0.88 KMT2A (0.54) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL13746768 0.87 SENP1 (0.57) SENP1AMY1AKMT2AMEN1NPC1
SCHEMBL13616349 0.87 MEN1 (0.49) SENP1AMY1AKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR SENP1 4049/4885AMY1A 3049/4885KMT2A 1752/4885

“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.

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