Sugi Predict

Sugi Predict / Compounds / SCHEMBL7213852

SCHEMBL7213852

SCHEMBL7213852

CN1CCC(CNC(=O)N(CCO)CCC2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ EPHX1 P07099 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL7220859 0.89 SIGMAR1 (0.36) KMT2AEPHX1SIGMAR1HRH3ITGB3
SCHEMBL7220863 0.89 SIGMAR1 (0.36) KMT2AEPHX1SIGMAR1HRH3ITGB3
SCHEMBL7214737 0.85 HRH3 (0.36) KMT2AEPHX1SIGMAR1HRH3ITGB3
Hydrochloric Acid SCHEMBL7214545 0.84 HRH3 (0.35) KMT2AEPHX1SIGMAR1HRH3ITGB3
SCHEMBL7213998 0.83 SIGMAR1 (0.46) SIGMAR1HDAC8KEAP1NFE2L2
SCHEMBL7214683 0.79 KMT2A (0.51) KMT2AGAAMEN1
SCHEMBL7214678 0.79 KMT2A (0.51) KMT2AGAAMEN1
SCHEMBL7213907 0.79 CA12 (0.40) KMT2ASIGMAR1HRH3CA12CA1
SCHEMBL7220238 0.79 CA12 (0.40) KMT2ASIGMAR1HRH3CA12CA1
SCHEMBL27457772 0.79 CA12 (0.40) KMT2ASIGMAR1HRH3CA12CA1

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 KMT2A 4791/4885EPHX1 2515/4885SIGMAR1 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.