SCHEMBL7213907

SCHEMBL7213907

O=C(NCCN1CCCCC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ALDH1A1 P00352 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL27457772 1.00 CA12 (0.40) CA12CA9CA1CA2ALDH1A1
SCHEMBL7220238 1.00 CA12 (0.40) CA12CA9CA1CA2ALDH1A1
SCHEMBL7216051 0.93 ALDH1A1 (0.47) ALDH1A1SIGMAR1HRH3RAD52MEN1
SCHEMBL7213837 0.93 ALDH1A1 (0.47) ALDH1A1SIGMAR1HRH3RAD52MEN1
SCHEMBL7213998 0.91 SIGMAR1 (0.46) ALDH1A1HDAC1HDAC6SIGMAR1POLB
SCHEMBL7220549 0.90 ALDH1A1 (0.51) ALDH1A1
SCHEMBL7220288 0.88 ALDH1A1 (0.34) CA12CA9CA1CA2ALDH1A1
SCHEMBL7214697 0.88 EPHX1 (0.33) ALDH1A1HDAC1HDAC6SIGMAR1MEN1
SCHEMBL7214672 0.85 HDAC1 (0.38) CA12CA9CA1CA2ALDH1A1
SCHEMBL7214420 0.85 HDAC1 (0.32) ALDH1A1HDAC1HDAC6SIGMAR1

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 CA12 4819/4885CA9 4198/4885CA1 3971/4885

“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.