SCHEMBL6896002

SCHEMBL6896002

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.42
SIGMAR1 Q99720 4/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
CTSL P07711 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMB10 P40306 2/20 0.39
PSMB2 P49721 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PSMB9 P28065 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
SCHEMBL28745441 1.00 TACR2 (0.42) TACR2SIGMAR1ADRA1DADRA1ACTSL
SCHEMBL6895021 0.94 ALDH1A1 (0.42) TACR2SIGMAR1ADRA1DADRA1ACTSL
SCHEMBL6889070 0.93 TACR2 (0.51) TACR2
SCHEMBL27538243 0.89 TACR2 (0.45) TACR2SIGMAR1ADRA1DADRA1AALDH1A1
SCHEMBL6891302 0.89 TACR2 (0.45) TACR2SIGMAR1ADRA1DADRA1AALDH1A1
SCHEMBL6890442 0.87 ALDH1A1 (0.40) TACR2CTSLALDH1A1SMN1; SMN2
SCHEMBL6890418 0.87 ALDH1A1 (0.44) SIGMAR1CTSLALDH1A1SMN1; SMN2
SCHEMBL6897691 0.87 ALDH1A1 (0.44) SIGMAR1CTSLALDH1A1SMN1; SMN2
SCHEMBL6891200 0.87 CTSL (0.40) CTSLALDH1A1SMN1; SMN2
SCHEMBL27541537 0.87 CTSL (0.40) CTSLALDH1A1SMN1; SMN2

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 6 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-20040071853-A1 For improving rheological properties of a flour dough and the quality of bread, alimentary paste products, noodles and cakes DUPONT NUTRITION BIOSCIENCES APS (DK) 2004-04-15 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 TACR2 94/4885SIGMAR1 26/4885ADRA1D 583/4885

“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.