SCHEMBL4040479

SCHEMBL4040479

COc1ccccc1C=C1C(=O)NC(=S)NC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.65
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ NAT1 P18440 1/20 0.59
▸ SIRT1 Q96EB6 5/20 0.57
▸ SIRT2 Q8IXJ6 4/20 0.57
▸ SIRT3 Q9NTG7 3/20 0.56
▸ SIRT5 Q9NXA8 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CCR6 P51684 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ BRAF P15056 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL14586372 0.87 NPC1 (0.68) NPC1KMT2AMEN1NAT1SIRT1
SCHEMBL9255656 0.86 MMP2 (0.64) NPC1KMT2AMEN1NAT1ALDH1A1
SCHEMBL9255652 0.86 MMP2 (0.64) NPC1KMT2AMEN1NAT1ALDH1A1
SCHEMBL14713060 0.84 METAP1 (0.60) NPC1KMT2AMEN1NAT1SIRT1
SCHEMBL15631551 0.82 SIRT1 (0.59) NPC1KMT2AMEN1SIRT1SIRT2
SCHEMBL15421719 0.81 MDM2 (0.64) KMT2AMEN1SIRT1SIRT2SIRT3
SCHEMBL29367529 0.79 NPC1 (1.00) NPC1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL16442345 0.79 NPC1 (1.00) NPC1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL5469692 0.79 NPC1 (1.00) NPC1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL5469690 0.79 NPC1 (1.00) NPC1ALDH1A1MAPTMAPK1CYP1A2

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
EP-1305026-B1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA SPA (IT) 2009-05-13 — — EP disclosed
EP-1305026-B1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA SPA (IT) 2009-05-13 — — EP disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 — — US disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 — — US disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 — — US disclosed
US-20030229108-A1 Barbituric acid analogs as therapeutic agents NOVUSPHARMA S.P.A. (IT) 2003-12-11 — — US disclosed
EP-1305026-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS Novuspharma S.p.A. (IT) 2003-05-02 — — EP disclosed
WO-2001093841-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA S.P.A. (IT) 2001-12-13 — — 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 (2 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-20030229108-A1 Barbituric acid analogs as therapeutic agents HIF1AN, HIF1A, VHL NPC1 2579/4885KMT2A 500/4885MEN1 2587/4885
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS HIF1A, HIF1AN, PDGFA NPC1 2098/4885KMT2A 418/4885MEN1 2707/4885

“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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