SCHEMBL6890675

SCHEMBL6890675

O=C(Cc1ccc2ccccc2c1)NCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NR1H4 Q96RI1 1/20 0.55
NLRP3 Q96P20 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
CNR2 P34972 3/20 0.52
AIMP2 Q13155 1/20 0.51
RIOK2 Q9BVS4 4/20 0.49
GSK3A P49840 2/20 0.49
MAPK10 P53779 2/20 0.49
MAPK8 P45983 1/20 0.49
HIPK1 Q86Z02 1/20 0.49
SNRK Q9NRH2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
PPARG P37231 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL30940788 0.91 MEN1 (0.52) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL31713941 0.86 NR1H4 (0.57) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL31713830 0.86 MC4R (0.55) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL23094939 0.84 L3MBTL1 (0.60) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL17946633 0.84 NR1H4 (0.59) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL28570822 0.84 CA1 (0.64) MEN1KMT2ANR1H4ALDH1A1
SCHEMBL7354818 0.83 MEN1 (0.51) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL21171908 0.82 MEN1 (0.50) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL21533674 0.82 MEN1 (0.50) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL9002952 0.81 HPGD (0.65) MEN1KMT2ANR1H4KDM4EALDH1A1

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
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH MEN1 4882/4885KMT2A 4759/4885NR1H4 25/4885

“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.