SCHEMBL6896782

SCHEMBL6896782

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
PTPN1 P18031 1/20 0.41
CTSL P07711 2/20 0.40
PKM P14618 1/20 0.40
FOLH1 Q04609 1/20 0.40
TACR2 P21452 1/20 0.39
SRC P12931 1/20 0.39
MC4R P32245 1/20 0.39
AVPR1A P37288 1/20 0.38

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
SCHEMBL6897566 0.98 ALDH1A1 (0.47) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6890418 0.94 ALDH1A1 (0.44) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6897691 0.90 ALDH1A1 (0.44) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6894874 0.90 ALDH1A1 (0.49) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6897063 0.89 ALDH1A1 (0.42) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6896895 0.88 ALDH1A1 (0.42) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6890749 0.88 ALDH1A1 (0.44) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6897967 0.88 ALDH1A1 (0.51) ALDH1A1TMEM97SIGMAR1PTPN1CTSL
SCHEMBL6899223 0.87 ALDH1A1 (0.42) ALDH1A1TMEM97SIGMAR1CTSL
SCHEMBL6895814 0.86 CTSS (0.42) TACR2SRC

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 ALDH1A1 1309/4885TMEM97 1439/4885SIGMAR1 26/4885

“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.