SCHEMBL13616382

SCHEMBL13616382

CC(=O)Nc1ccccc1/C=C1\SC(N2CC[C@H](N(C)C)C2)=NC1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ AMY1A P0DUB6 1/20 0.48
▸ SENP1 Q9P0U3 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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 0.84 SENP1 (0.62) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL4351015 0.84 SENP1 (0.62) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL4341594 0.84 SENP1 (0.62) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL13629842 0.84 SENP1 (0.62) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL4341599 0.84 SENP1 (0.62) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL4351018 0.84 SENP1 (0.62) KMT2AMEN1NPC1PIM1PIM3
Hydrochloric Acid SCHEMBL4348254 0.84 SENP1 (0.61) KMT2AMEN1NPC1PIM1PIM3
Hydrochloric Acid SCHEMBL4348249 0.84 SENP1 (0.61) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL13630355 0.82 KMT2A (0.54) KMT2AMEN1NPC1PIM1PIM3
SCHEMBL13616378 0.82 NPC1 (0.64) KMT2AMEN1NPC1AMY1ASENP1

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 3 patents. 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
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO 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 KMT2A 1752/4885MEN1 4697/4885NPC1 2712/4885

“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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