SCHEMBL5755437

SCHEMBL5755437

CCCn1nnc(C(N)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5754483 0.73 MAPT (0.40) RAB9ANPC1NPSR1LMNA
SCHEMBL15932119 0.73 KMT2A (0.47) RECQLKMT2AMEN1ALDH1A1GAA
SCHEMBL15020158 0.71 KMT2A (0.47) KMT2AMEN1RAB9ANPC1
SCHEMBL9112779 0.70 KMT2A (0.46) KMT2AMEN1
SCHEMBL19302743 0.68 RECQL (0.45) RECQLKMT2AMEN1ALDH1A1GAA
SCHEMBL4407970 0.67
SCHEMBL4411110 0.67
SCHEMBL18839921 0.66 ALDH1A1 (0.47) RECQLKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4411127 0.66
SCHEMBL4413215 0.66 RECQL (0.42) RECQLKMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303499-B1 TETRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-07-12 EP claimed
EP-1303499-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-6399641-B1 FOR THERAPY AND PROPHYLAXIS OF PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES ETC. HOFFMANN-LA ROCHE INC. 2002-06-04 US claimed
US-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists HOFFMANN-LA ROCHE INC. 2002-02-21 US claimed
WO-2002006254-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO claimed
EP-1303499-B1 TETRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-07-12 EP disclosed
EP-1303499-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6399641-B1 FOR THERAPY AND PROPHYLAXIS OF PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES ETC. HOFFMANN-LA ROCHE INC. 2002-06-04 US disclosed
US-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists HOFFMANN-LA ROCHE INC. 2002-02-21 US disclosed
WO-2002006254-A1 TETRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020022648-A1 Novel 2H-tetrazole-amide compounds with therapeutic activity as metabotropic glutamate receptor agonists GRM1, GRM3, GRM2 RECQL 4844/4885KMT2A 1078/4885MEN1 3978/4885

“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.