SCHEMBL6898009

SCHEMBL6898009

CC(=O)SCCN(CCc1ccncc1)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.42
TSHR P16473 2/20 0.36
NAMPT P43490 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
UGCG Q16739 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
THRB P10828 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL6891371 0.90 HSD17B10 (0.46) CHRM1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL27538415 0.90 HSD17B10 (0.46) CHRM1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL6895946 0.90 HSD17B10 (0.46) CHRM1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL6897607 0.90 MEN1 (0.40) CHRM1HSD17B10MEN1KMT2AALDH1A1
SCHEMBL6898176 0.89 CYP3A4 (0.39) CHRM1TSHRHSD17B10MEN1KMT2A
SCHEMBL6895628 0.89 CHRM5 (0.39) CHRM1TSHRHSD17B10KMT2AALDH1A1
SCHEMBL6898126 0.87 HSD17B10 (0.40) CHRM1TSHRHSD17B10KMT2AALDH1A1
SCHEMBL6890745 0.87 MAPT (0.43) CHRM1KMT2AALDH1A1LMNA
SCHEMBL6893432 0.86 NPC1 (0.34) CHRM1HSD17B10MEN1KMT2A
SCHEMBL6897496 0.86 HSD17B10 (0.45) CHRM1HSD17B10ALDH1A1KDM4EACE

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 CHRM1 340/4885TSHR 580/4885NAMPT 3751/4885

“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.