SCHEMBL6898112

SCHEMBL6898112

CN(CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCO)CCc1ccccc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CTSL P07711 2/20 0.38
MMP2 P08253 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
BCHE P06276 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TACR2 P21452 2/20 0.37
TACR1 P25103 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
SCHEMBL7752346 0.92 ALDH1A1 (0.41) ALDH1A1CTSLMMP2ITGA4ITGB7
SCHEMBL6897918 0.92 ALDH1A1 (0.41) ALDH1A1CTSLMMP2ITGA4ITGB7
SCHEMBL6890443 0.90 ALDH1A1 (0.39) ALDH1A1CTSLMMP2TMEM97SIGMAR1
SCHEMBL6898016 0.88 ALDH1A1 (0.47) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6898396 0.86 ALDH1A1 (0.45) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6897967 0.85 ALDH1A1 (0.51) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6897716 0.85 ALDH1A1 (0.46) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6895846 0.85 ALDH1A1 (0.48) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6894874 0.84 ALDH1A1 (0.49) ALDH1A1CTSLTMEM97SIGMAR1ITGA4
SCHEMBL6898114 0.84 ALDH1A1 (0.42) ALDH1A1CTSLITGA4ITGB7PTPN1

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 1309/4885CTSL 869/4885MMP2 3359/4885

“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.