SCHEMBL6896895

SCHEMBL6896895

CCN(CC)CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCSC(C)=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TACR2 P21452 3/20 0.41
CTSL P07711 3/20 0.41
LMNA P02545 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PTPN1 P18031 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN2 P17706 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL6895732 0.93 ALDH1A1 (0.42) ALDH1A1TACR2CTSLLMNATMEM97
SCHEMBL6890418 0.92 ALDH1A1 (0.44) ALDH1A1CTSLTMEM97SIGMAR1NPC1
SCHEMBL6890749 0.91 ALDH1A1 (0.44) ALDH1A1TACR2CTSLTMEM97SIGMAR1
SCHEMBL6897691 0.90 ALDH1A1 (0.44) ALDH1A1CTSLTMEM97SIGMAR1NPC1
SCHEMBL6897063 0.90 ALDH1A1 (0.42) ALDH1A1CTSLTMEM97SIGMAR1NPC1
SCHEMBL6897716 0.89 ALDH1A1 (0.46) ALDH1A1TACR2CTSLLMNATMEM97
SCHEMBL6897566 0.89 ALDH1A1 (0.47) ALDH1A1TACR2CTSLTMEM97SIGMAR1
SCHEMBL6896782 0.88 ALDH1A1 (0.46) ALDH1A1TACR2CTSLTMEM97SIGMAR1
SCHEMBL6897714 0.86 ALDH1A1 (0.39) ALDH1A1CTSLTMEM97SIGMAR1NPC1
SCHEMBL6895626 0.86 KMT2A (0.51) ALDH1A1CTSLNPC1RAB9ASMN1; 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 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 ALDH1A1 1309/4885TACR2 94/4885CTSL 869/4885

“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.