SCHEMBL6897063

SCHEMBL6897063

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CTSL P07711 3/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 3/20 0.37
TP53 P04637 1/20 0.36
PTPN2 P17706 1/20 0.36

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
SCHEMBL6890418 0.93 ALDH1A1 (0.44) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6896895 0.90 ALDH1A1 (0.42) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6890749 0.90 ALDH1A1 (0.44) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6897566 0.90 ALDH1A1 (0.47) ALDH1A1CTSLTMEM97SIGMAR1NPC1
SCHEMBL6897691 0.90 ALDH1A1 (0.44) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6898396 0.90 ALDH1A1 (0.45) ALDH1A1CTSLTMEM97SIGMAR1CRHBP
SCHEMBL6896782 0.89 ALDH1A1 (0.46) ALDH1A1CTSLTMEM97SIGMAR1PTPN1
SCHEMBL6890443 0.87 ALDH1A1 (0.39) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6897714 0.86 ALDH1A1 (0.39) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6895626 0.85 KMT2A (0.51) ALDH1A1CTSLITGA4ITGB7NPC1

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 ALDH1A1 1309/4885CTSL 869/4885TMEM97 1439/4885

“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.