SCHEMBL4038790

SCHEMBL4038790

O=C1N=C(O)NC(=O)C1(Br)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
CYP2C9 P11712 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CACNA1F O60840 1/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34

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
SCHEMBL4379252 0.79 LMNA (0.46) AKR1B1CYP2C9BLMPMP22LMNA
Phenobarbital SCHEMBL11114624 0.72 KMT2A (0.51) LMNAKMT2AMAPTMMP2MMP9
SCHEMBL4038795 0.71 MMP9 (0.57) AKR1B1CYP2C9BLMPMP22LMNA
SCHEMBL4384790 0.69 GABRA1 (0.40) AKR1B1LMNAKMT2ABACE1BACE2
SCHEMBL7467988 0.63 MAPT (0.41) CYP2C9BLMPMP22LMNAALDH1A1
SCHEMBL2615275 0.62 AKR1B1 (0.43) AKR1B1CYP2C9BLMPMP22ALDH1A1
SCHEMBL2615278 0.62 AKR1B1 (0.43) AKR1B1CYP2C9BLMPMP22ALDH1A1
SCHEMBL16865391 0.62 GAA (0.41) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL4662863 0.62 MMP2 (0.57) AKR1B1CYP2C9BLMPMP22BACE1
SCHEMBL14939980 0.61 CA1 (0.59) BLMLMNAKMT2ABACE1THRB

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 AKR1B1 807/4885CYP2C9 3738/4885BLM 4562/4885
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS HIF1A, HIF1AN, PDGFA AKR1B1 965/4885CYP2C9 3852/4885BLM 4613/4885

“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.