SCHEMBL6890745

SCHEMBL6890745

COc1ccc(CCN(CCSC(C)=O)C(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CHRM5 P08912 4/20 0.40
CHRM3 P20309 4/20 0.40
CHRM1 P11229 3/20 0.40
DRD2 P14416 1/20 0.39
POLB P06746 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
MMP1 P03956 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
KDM1A O60341 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL6893432 0.92 NPC1 (0.34) MAPTCHRM5CHRM3CHRM1SMN1; SMN2
SCHEMBL6897607 0.90 MEN1 (0.40) MAPTCHRM1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6898176 0.89 CYP3A4 (0.39) MAPTCHRM1POLBSIGMAR1ALDH1A1
SCHEMBL6895628 0.89 CHRM5 (0.39) CHRM5CHRM3CHRM1SIGMAR1ALDH1A1
SCHEMBL6891371 0.89 HSD17B10 (0.46) CHRM1ALDH1A1
SCHEMBL6895946 0.89 HSD17B10 (0.46) CHRM1ALDH1A1
SCHEMBL27538415 0.89 HSD17B10 (0.46) CHRM1ALDH1A1
SCHEMBL6898126 0.87 HSD17B10 (0.40) CHRM1POLBALDH1A1KMT2A
SCHEMBL6898009 0.87 CHRM1 (0.42) CHRM1ALDH1A1KMT2ALMNA
SCHEMBL6893749 0.86 SIGMAR1 (0.40) MAPTSIGMAR1ALDH1A1KMT2ALMNA

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 MAPT 2496/4885CHRM5 172/4885CHRM3 277/4885

“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.