SCHEMBL4043078

SCHEMBL4043078

Cc1cc2occ(C=C3C(=O)NC(=S)NC3=O)c(=O)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ PTPN1 P18031 1/20 0.46
▸ MDM2 Q00987 2/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL4044019 0.74 PTPN1 (0.77) ALDH1A1KDM4EPTPN1MEN1KMT2A
SCHEMBL31292056 0.74 PTPN1 (0.77) ALDH1A1KDM4EPTPN1MEN1KMT2A
SCHEMBL14103656 0.69 MAOA (0.56) MAPTALDH1A1KDM4EAPAF1CACNA1B
SCHEMBL13856191 0.68 MAPT (0.74) MAPTALDH1A1KDM4ETDP1NPSR1
SCHEMBL18021729 0.68 ALOX15 (0.49) MAPTALDH1A1KDM4EPTPN1KMT2A
SCHEMBL18598291 0.67 MDM2 (0.57) MAPTALDH1A1TDP1NPSR1PKM
SCHEMBL1520194 0.67 ALDH1A1 (0.62) MAPTALDH1A1KDM4EGAAAPAF1
SCHEMBL1520189 0.67 ALDH1A1 (0.62) MAPTALDH1A1KDM4EGAAAPAF1
SCHEMBL1520193 0.67 ALDH1A1 (0.62) MAPTALDH1A1KDM4EGAAAPAF1
SCHEMBL11562450 0.64 PTPN1 (0.45) MAPTALDH1A1KDM4EPTPN1KMT2A

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 5 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
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 MAPT 3187/4885ALDH1A1 123/4885KDM4E 712/4885
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS HIF1A, HIF1AN, PDGFA MAPT 3423/4885ALDH1A1 93/4885KDM4E 688/4885

“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.

Send feedback