SCHEMBL7214714

SCHEMBL7214714

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HRH3 Q9Y5N1 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7214057 1.00 NPC1 (0.41) NPC1CA12CA9HDAC1HDAC6
SCHEMBL7214034 1.00 NPC1 (0.41) NPC1CA12CA9HDAC1HDAC6
Hydrochloric Acid SCHEMBL7220424 0.99 NPC1 (0.41) NPC1CA12CA9HDAC1HDAC6
SCHEMBL7214804 0.94 ALDH1A1 (0.42) NPC1SIGMAR1HRH3MEN1KMT2A
SCHEMBL7510265 0.94 SIGMAR1 (0.42) NPC1CA12CA9HDAC1HDAC6
SCHEMBL7220076 0.94 ALDH1A1 (0.42) NPC1SIGMAR1HRH3MEN1KMT2A
SCHEMBL7214121 0.93 NPC1 (0.34) NPC1CA12CA9HDAC1HDAC6
SCHEMBL7220913 0.93 HTT (0.38) NPC1CA12CA9HDAC1HDAC6
SCHEMBL7213843 0.91 NPC1 (0.33) NPC1CA12CA9HDAC1HDAC6
Hydrochloric Acid SCHEMBL7216056 0.90 KDM1A (0.33) NPC1CA12CA9HDAC1HDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US claimed
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 claimed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP claimed
US-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP disclosed
JP-2000351764-A N-SUBSTITUTED-N'-SUBSTITUTED-UREA DERIVATIVE AND ITS USE AS TNF-ALPHA PRODUCTION INHIBITOR SANTEN PHARMACEUT CO LTD 2000-12-19 JP 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 NPC1 2431/4885CA12 4819/4885CA9 4198/4885

“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.