SCHEMBL6898090

SCHEMBL6898090

CC(=O)SCCN(CCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
UGCG Q16739 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 3/20 0.41
KDM4E B2RXH2 1/20 0.41
FPR2 P25090 1/20 0.41
REN P00797 2/20 0.40
CHRM3 P20309 1/20 0.40
MC4R P32245 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
SCHEMBL27560011 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL27538309 0.87 HSD17B10 (0.47) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6891051 0.87 HSD17B10 (0.47) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6895429 0.87 HSD17B10 (0.47) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6898131 0.87 MME (0.48) ALDH1A1HSD17B10KDM4E
SCHEMBL27538229 0.87 MME (0.48) ALDH1A1HSD17B10KDM4E
SCHEMBL6895829 0.85 CHRM1 (0.49) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6890733 0.85 HSD17B10 (0.47) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL6893485 0.83 CYP3A4 (0.44) ALDH1A1MEN1KMT2AHSD17B10CYP3A4
Fumaric Acid SCHEMBL6895604 0.83 CTSL (0.45) ALDH1A1MEN1KMT2AHSD17B10CYP3A4

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 1309/4885MEN1 4882/4885KMT2A 4759/4885

“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.