SCHEMBL7510265

SCHEMBL7510265

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCN1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
HDAC6 Q9UBN7 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NPC1 O15118 1/20 0.35
SLC2A1 P11166 2/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD11B1 P28845 1/20 0.32
HDAC1 Q13547 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7214714 0.94 NPC1 (0.41) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
SCHEMBL7214034 0.94 NPC1 (0.41) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
SCHEMBL7214057 0.94 NPC1 (0.41) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL7220424 0.93 NPC1 (0.41) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
SCHEMBL7220913 0.91 HTT (0.38) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
SCHEMBL7214121 0.91 NPC1 (0.34) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
SCHEMBL7213843 0.89 NPC1 (0.33) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL7216056 0.88 KDM1A (0.33) SIGMAR1HDAC6NPC1ALDH1A1HDAC1
SCHEMBL7220076 0.87 ALDH1A1 (0.42) SIGMAR1NPC1ALDH1A1POLBTSHR
SCHEMBL7214804 0.87 ALDH1A1 (0.42) SIGMAR1NPC1ALDH1A1POLBTSHR

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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents TNF, NFKBIA, CHUK SIGMAR1 526/4885HDAC6 1605/4885HDAC2 3486/4885

“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.