SCHEMBL6897261

SCHEMBL6897261

CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCO)CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP3 P08254 1/20 0.46
FCER2 P06734 1/20 0.45
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.41
BACE1 P56817 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
MMP2 P08253 1/20 0.38
CA2 P00918 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL6897072 0.90 MME (0.49) LMNAKMT2AMEN1NPC1TP53
SCHEMBL27570936 0.90 MME (0.49) LMNAKMT2AMEN1NPC1TP53
SCHEMBL6891080 0.88 MMP1 (0.44) MMP1MMP3FCER2LMNAPTPN1
SCHEMBL6897723 0.88 HTT (0.43) MMP1MMP3LMNAPTPN1BACE1
SCHEMBL6899001 0.85 MMP1 (0.50) MMP1MMP3FCER2MMEACE
SCHEMBL27562651 0.85 MMP1 (0.50) MMP1MMP3FCER2MMEACE
SCHEMBL6898877 0.83 MMP1 (0.55) MMP1MMP3MMP2
SCHEMBL6894803 0.79 MMP1 (0.44) MMP1MMP3FCER2MMEACE
SCHEMBL6895549 0.79 MMP1 (0.50) MMP1MMP3FCER2MMP2
SCHEMBL27541804 0.79 MMP1 (0.50) MMP1MMP3FCER2MMP2

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
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH MMP1 3883/4885MMP3 4452/4885FCER2 1254/4885

“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.