SCHEMBL6895732

SCHEMBL6895732

CCN(CC)CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCSC(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TACR2 P21452 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
CTSL P07711 2/20 0.39
TP53 P04637 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 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
SCHEMBL6896895 0.93 ALDH1A1 (0.42) ALDH1A1TACR2SMN1; SMN2NPC1RAB9A
SCHEMBL6899223 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ATMEM97
SCHEMBL6897716 0.89 ALDH1A1 (0.46) ALDH1A1TACR2SMN1; SMN2NPC1RAB9A
SCHEMBL6890418 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9ATMEM97
SCHEMBL6890749 0.83 ALDH1A1 (0.44) ALDH1A1TACR2SMN1; SMN2NPC1RAB9A
SCHEMBL6897691 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9ATMEM97
SCHEMBL6897063 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ATMEM97
SCHEMBL6897566 0.82 ALDH1A1 (0.47) ALDH1A1TACR2SMN1; SMN2NPC1RAB9A
SCHEMBL6896782 0.81 ALDH1A1 (0.46) ALDH1A1TACR2TMEM97SIGMAR1CTSL
SCHEMBL6898016 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ATMEM97

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 2 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

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 94/4885SMN1; SMN2 4533/4885

“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.