SCHEMBL6682071

SCHEMBL6682071

CC(N=C(N)N)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.46
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7020087 0.78 NOS2 (0.70) NOS2LMNACYP2C19ALDH1A1
SCHEMBL8082501 0.77 NOS2 (0.47) NOS2LMNAHTTGRIN2DGRIN3B
SCHEMBL6682638 0.75 NOS2 (0.46) NOS2LMNAHTTGRIN2DGRIN3B
SCHEMBL22180009 0.75 NOS2 (0.46) NOS2HTTGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL8079624 0.75 NOS2 (0.46) NOS2LMNAHTTGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL7327781 0.69 CA12 (0.47) NOS2HTTCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL10822383 0.68 EPHX1 (0.53) LMNA
SCHEMBL9697406 0.67
SCHEMBL1382152 0.67
SCHEMBL426212 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914333-B1 PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-24 EP disclosed
EP-0932618-B1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ASTRAZENECA AB (SE) 2003-12-10 EP disclosed
US-20030195158-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2003-10-16 US disclosed
EP-0946589-B1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6541453-B2 Amino acid sequences for use in the treatment of autoimmune or inflammatory diseases SYNGENTA LIMITED (GB) 2003-04-01 US disclosed
US-20020187934-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2002-12-12 US disclosed
US-20020103335-A1 PEPTIDE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2002-08-01 US disclosed
US-6355617-B1 PEPTIDES, HYDROPHOBIC RESIDUES, AMINO ACIDS AND SEQUENCE SYNGENTA LIMITED (GB) 2002-03-12 US disclosed
US-6207644-B1 FOR USE IN TREATING MHC CLASS II DEPENDENT T-CELL MEDIATED AUTOIMMUNE OR INFLAMMATORY DISEASES, SUCH AS RHEUMATOID ARTHRITIS ZENECA LIMITED (GB) 2001-03-27 US disclosed
US-6184207-B1 A PEPTIDE INCLUDING SPECIFIED PIPERIDINE-CONTAINING GROUP, HAVING AN N-TERMINAL HYDROPHOBIC RESIDUE AND OPTIONALLY AN AMIDATED C-TERMINAL OF SPECIFIED END GROUPS; TREATING MULTIPLE SCLEROSIS OR RHEUMATOID ARTHRITIS ZENECA LIMITED (GB) 2001-02-06 US disclosed
EP-0882066-B1 PEPTIDE DERIVATIVES ZENECA LTD (GB) 2000-09-06 EP disclosed
US-6087336-A ANTIINFLAMMATORY AGENT TREATING RHEUMATOID ARTHRITIS ZENECA LIMITED (GB) 2000-07-11 US disclosed
EP-0946589-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1999-10-06 EP disclosed
EP-0932618-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING AstraZeneca AB (SE) 1999-08-04 EP disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 EP disclosed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP disclosed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO disclosed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO disclosed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 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 (3 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-20030195158-A1 Peptide derivatives HLA-DRB1, MICA, CD74 NOS2 697/4885LMNA 4844/4885HTT 1036/4885
US-20020103335-A1 PEPTIDE DERIVATIVES HLA-DRB1, MICA, TAP1 NOS2 1377/4885LMNA 4479/4885HTT 2971/4885
US-20020187934-A1 Peptide derivatives HLA-DRB1, MICA, TAP1 NOS2 1304/4885LMNA 4839/4885HTT 3408/4885

“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.