SCHEMBL5758085

SCHEMBL5758085

CCn1nnc(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.37
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 1/20 0.36
KDM4A O75164 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL5755437 0.85 RECQL (0.47) SMN1; SMN2LMNARAB9ANPC1L3MBTL1
SCHEMBL14420977 0.82 SMN1; SMN2 (0.40) SMN1; SMN2LMNARAB9ANPC1PKM
SCHEMBL23516537 0.76 PKM (0.44) SMN1; SMN2LMNARAB9ANPC1PKM
SCHEMBL5754483 0.76 MAPT (0.40) LMNARAB9ANPC1TP53TSHR
SCHEMBL18839682 0.74 KDM4E (0.41) SMN1; SMN2LMNARAB9ANPC1PKM
SCHEMBL3273453 0.67
SCHEMBL19302737 0.67 HSD17B10 (0.50) SMN1; SMN2LMNARAB9ANPC1PKM
SCHEMBL23277296 0.66
SCHEMBL19302734 0.65 RAB9A (0.57) SMN1; SMN2LMNARAB9ANPC1PKM
SCHEMBL1302329 0.64

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 SMN1; SMN2 1827/4885LMNA 4874/4885RAB9A 1637/4885

“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.