SCHEMBL5997462

SCHEMBL5997462

CC(N)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
VCAM1 P19320 1/20 0.47
PDE7A Q13946 7/20 0.44
PDE7B Q9NP56 3/20 0.44
PDK1 Q15118 1/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KIF18A Q8NI77 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 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
SCHEMBL5997466 1.00 LMNA (0.55) LMNATP53HTTMAPK1TSHR
SCHEMBL5997474 1.00 LMNA (0.55) LMNATP53HTTMAPK1TSHR
SCHEMBL10019193 0.86 PDK1 (0.58) LMNAMAPK1TSHRVCAM1PDE7A
SCHEMBL5996588 0.83 MAPK1 (0.50) MAPK1TSHRVCAM1PDE7APDE7B
SCHEMBL5150129 0.83 MAPK1 (0.50) MAPK1TSHRVCAM1PDE7APDE7B
SCHEMBL5996591 0.83 MAPK1 (0.50) MAPK1TSHRVCAM1PDE7APDE7B
SCHEMBL27688490 0.83 MAPK1 (0.50) LMNAMAPK1TSHRVCAM1PDE7A
SCHEMBL5497079 0.81 TDP1 (0.56) TP53HTTMAPK1TSHRALDH1A1
SCHEMBL31657750 0.80 MAPK1 (0.55) LMNAMAPK1TSHRVCAM1PDE7A
SCHEMBL20072320 0.80 MAPK1 (0.47) LMNAMAPK1TSHRVCAM1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126108-A Preparation method of Ensitrelvir intermediate 重庆博腾制药科技股份有限公司 2023-11-28 CN disclosed
US-20060235007-A1 Substituted 1,4-diazepines and uses thereof LU TIANBAO 2006-10-19 US disclosed
EP-1712235-A2 Combinational therapy involving a small molecule inhibitor of the MDM2: P53 interaction Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 EP disclosed
US-7115598-B2 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-10-03 US disclosed
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction ORTHO-MCNEIL PHARMACEUTICAL, INC. 2005-10-13 US disclosed
US-20040220179-A1 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-04 US 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-20060235007-A1 Substituted 1,4-diazepines and uses thereof MDM2, TP53, RB1 LMNA 3920/4885TP53 2/4885HTT 400/4885
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction TP53, MDM2, TP53BP1 LMNA 3794/4885TP53 1/4885HTT 1312/4885
US-20040220179-A1 Substituted 1,4-diazepines and uses thereof TP53, MDM2, HRH2 LMNA 3185/4885TP53 1/4885HTT 389/4885

“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.