SCHEMBL6897732

SCHEMBL6897732

CC(=O)SCCN(CCc1ccccc1)C(=O)NCCC(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
AR P10275 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL6898151 0.90 L3MBTL1 (0.49) SIGMAR1KDM4EALDH1A1ARL3MBTL1
SCHEMBL6898169 0.83 RAB9A (0.43) ALDH1A1L3MBTL1TSHRNPC1TDP1
SCHEMBL6895946 0.80 HSD17B10 (0.46) KDM4EALDH1A1TSHR
SCHEMBL6891371 0.80 HSD17B10 (0.46) KDM4EALDH1A1TSHR
SCHEMBL27538415 0.80 HSD17B10 (0.46) KDM4EALDH1A1TSHR
SCHEMBL6896682 0.79 HSD17B10 (0.42) KDM4EALDH1A1
SCHEMBL6890742 0.79 CHRM1 (0.46) KDM4EALDH1A1TSHR
SCHEMBL6891320 0.79 HSD17B10 (0.44) KDM4EALDH1A1
SCHEMBL28747238 0.79 HSD17B10 (0.44) KDM4EALDH1A1
SCHEMBL6895694 0.79 HSD17B10 (0.42) KDM4EALDH1A1

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 SIGMAR1 26/4885KDM4E 2856/4885ALDH1A1 1309/4885

“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.