SCHEMBL6897072

SCHEMBL6897072

CC(C)CCN(CCO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.49
ACE P12821 7/20 0.49
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL27570936 1.00 MME (0.49) MMEACECA2MEN1KMT2A
SCHEMBL6897261 0.90 MMP1 (0.46) MMEACECA2MEN1KMT2A
SCHEMBL6897723 0.85 HTT (0.43) MMEACEMEN1KMT2ANPC1
SCHEMBL6897831 0.85 MME (0.58) MMEACELMNACPA1ACE2
SCHEMBL27570917 0.85 MME (0.58) MMEACELMNACPA1ACE2
SCHEMBL6895640 0.85 CA2 (0.47) MMEACECA2MEN1KMT2A
SCHEMBL27576411 0.85 CA2 (0.47) MMEACECA2MEN1KMT2A
SCHEMBL6898434 0.84 MME (0.67) MMEACECPA1ACE2
SCHEMBL6889376 0.83 MME (0.51) MMEACECA2KMT2AITGA4
SCHEMBL27541911 0.83 MME (0.51) MMEACECA2KMT2AITGA4

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 MME 1516/4885ACE 1063/4885CA2 4200/4885

“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.