SCHEMBL7214420

SCHEMBL7214420

O=C(NCCN1CC=CCC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.31
EPHX1 P07099 1/20 0.30
CTSK P43235 1/20 0.30
CASR P41180 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL7214697 0.92 EPHX1 (0.33) HDAC1HDAC6SIGMAR1ALDH1A1EPHX1
SCHEMBL7213783 0.86 HDAC1 (0.32) HDAC1HDAC6SIGMAR1
SCHEMBL7220238 0.85 CA12 (0.40) HDAC1HDAC6SIGMAR1ALDH1A1
SCHEMBL7213907 0.85 CA12 (0.40) HDAC1HDAC6SIGMAR1ALDH1A1
SCHEMBL27457772 0.85 CA12 (0.40) HDAC1HDAC6SIGMAR1ALDH1A1
SCHEMBL7213998 0.82 SIGMAR1 (0.46) HDAC1HDAC6SIGMAR1ALDH1A1
SCHEMBL7220549 0.81 ALDH1A1 (0.51) ALDH1A1EPHX1
SCHEMBL7220288 0.79 ALDH1A1 (0.34) HDAC1HDAC6SIGMAR1ALDH1A1OPRK1
SCHEMBL7216051 0.78 ALDH1A1 (0.47) SIGMAR1ALDH1A1EPHX1
SCHEMBL7213837 0.78 ALDH1A1 (0.47) SIGMAR1ALDH1A1EPHX1

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
CN-1148349-C N-substituted-N' -substituted urea derivatives and their use as TNF-alpha production inhibitors ������ҩ��ʽ���� 2004-05-05 CN disclosed
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
CN-1352632-A N-substituted-N' -substituted urea derivatives and their use as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2002-06-05 CN 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 1605/4885SIGMAR1 526/4885

“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.