SCHEMBL6895457

SCHEMBL6895457

CC(=O)SCCN(CCC(C)C)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
BACE1 P56817 2/20 0.37
LMNA P02545 2/20 0.36
BCL2A1 Q16548 2/20 0.35
AVPR1A P37288 1/20 0.35
BID P55957 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MMP1 P03956 1/20 0.35
FCER2 P06734 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CTSL P07711 1/20 0.34
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL6897723 0.89 HTT (0.43) ITGA4ITGB7POLBHTTBACE1
SCHEMBL6891080 0.89 MMP1 (0.44) ITGA4ITGB7HTTBACE1LMNA
SCHEMBL6890418 0.88 ALDH1A1 (0.44) ITGA4ITGB7POLBHTTALDH1A1
SCHEMBL6898842 0.88 CTSS (0.40) BCL2A1BIDMMP1FCER2
SCHEMBL6897566 0.84 ALDH1A1 (0.47) AVPR1AALDH1A1TMEM97SIGMAR1KMT2A
SCHEMBL6896782 0.83 ALDH1A1 (0.46) AVPR1AALDH1A1TMEM97SIGMAR1CTSL
SCHEMBL6890749 0.82 ALDH1A1 (0.44) ITGA4ITGB7BACE1ALDH1A1TMEM97
SCHEMBL6897063 0.81 ALDH1A1 (0.42) ITGA4ITGB7ALDH1A1TMEM97SIGMAR1
SCHEMBL6896895 0.80 ALDH1A1 (0.42) ITGA4ITGB7LMNAALDH1A1TMEM97
SCHEMBL6899223 0.80 ALDH1A1 (0.42) ITGA4ITGB7POLBHTTBACE1

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 4 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
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 ITGA4 4185/4885ITGB7 3803/4885POLB 2155/4885

“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.