SCHEMBL7214672

SCHEMBL7214672

CSCCN(CCC1CCCCC1)C(=O)NCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34
NAAA Q02083 1/20 0.34
RAD52 P43351 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL7214010 0.99 HDAC1 (0.37) HDAC1HDAC6NPC1CA12CA9
SCHEMBL7214714 0.89 NPC1 (0.41) HDAC1HDAC6NPC1CA12CA9
SCHEMBL7214034 0.89 NPC1 (0.41) HDAC1HDAC6NPC1CA12CA9
SCHEMBL7214057 0.89 NPC1 (0.41) HDAC1HDAC6NPC1CA12CA9
Hydrochloric Acid SCHEMBL7220424 0.88 NPC1 (0.41) HDAC1HDAC6NPC1CA12CA9
SCHEMBL7220238 0.85 CA12 (0.40) HDAC1HDAC6NPC1CA12CA9
SCHEMBL7213907 0.85 CA12 (0.40) HDAC1HDAC6NPC1CA12CA9
SCHEMBL27457772 0.85 CA12 (0.40) HDAC1HDAC6NPC1CA12CA9
SCHEMBL7214804 0.82 ALDH1A1 (0.42) NPC1SIGMAR1ALDH1A1HRH3MEN1
SCHEMBL7510265 0.82 SIGMAR1 (0.42) HDAC1HDAC6NPC1CA12CA9

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 6 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

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 HDAC1 2415/4885HDAC6 1605/4885NPC1 2431/4885

“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.