SCHEMBL6895846

SCHEMBL6895846

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TACR2 P21452 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CTSL P07711 3/20 0.41
PTPN1 P18031 1/20 0.40
BACE1 P56817 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.39
MMP8 P22894 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
SCHEMBL6898016 0.91 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL6897716 0.90 ALDH1A1 (0.46) ALDH1A1TACR2MEN1KMT2AITGA4
SCHEMBL6890749 0.89 ALDH1A1 (0.44) ALDH1A1TACR2MEN1KMT2AITGA4
SCHEMBL6898396 0.89 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL6897967 0.89 ALDH1A1 (0.51) ALDH1A1TACR2MEN1KMT2AITGA4
SCHEMBL6894874 0.87 ALDH1A1 (0.49) ALDH1A1TACR2MEN1KMT2AITGA4
SCHEMBL6898399 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL6897200 0.85 CTSS (0.46) ALDH1A1ITGA4ITGB7CTSLPTPN1
SCHEMBL6898112 0.85 ALDH1A1 (0.41) ALDH1A1TACR2MEN1KMT2AITGA4
SCHEMBL6897918 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AITGA4ITGB7

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 1309/4885TACR2 94/4885MEN1 4882/4885

“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.