SCHEMBL7214697

SCHEMBL7214697

O=C(NCCN1CC=CC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CASR P41180 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRM4 P08173 1/20 0.30
FKBP1A P62942 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
SCHEMBL7214420 0.92 HDAC1 (0.32) EPHX1CASRALDH1A1SIGMAR1HDAC1
SCHEMBL27457772 0.88 CA12 (0.40) ALDH1A1SIGMAR1KMT2AMEN1HDAC1
SCHEMBL7220238 0.88 CA12 (0.40) ALDH1A1SIGMAR1KMT2AMEN1HDAC1
SCHEMBL7213907 0.88 CA12 (0.40) ALDH1A1SIGMAR1KMT2AMEN1HDAC1
SCHEMBL7213998 0.84 SIGMAR1 (0.46) ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7220549 0.83 ALDH1A1 (0.51) EPHX1ALDH1A1L3MBTL1
SCHEMBL27501390 0.83 KMT2A (0.36) EPHX1CASRALDH1A1OPRM1OPRD1
SCHEMBL7220288 0.81 ALDH1A1 (0.34) ALDH1A1SIGMAR1OPRM1OPRD1HDAC1
SCHEMBL7213837 0.81 ALDH1A1 (0.47) EPHX1ALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL7216051 0.81 ALDH1A1 (0.47) EPHX1ALDH1A1SIGMAR1KMT2AMEN1

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 EPHX1 2515/4885CASR 4305/4885ALDH1A1 740/4885

“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.