SCHEMBL6891380

SCHEMBL6891380

CC(C)(C)[Si](C)(C)OCCNCCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL2027168 0.84 LOXL2 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL4957807 0.78 HRH1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL844556 0.78 DUT (0.33)
SCHEMBL15166734 0.76 DUT (0.33)
SCHEMBL7360165 0.76 LOXL2 (0.54) ALDH1A1KDM4EGLASMN1; SMN2NPC1
SCHEMBL30940727 0.75 TAAR1 (0.42) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL19438939 0.75 SLC6A3 (0.43)
SCHEMBL581041 0.73 LOXL2 (0.37) ALDH1A1RAB9ALOXL2
SCHEMBL1775608 0.72 DRD4 (0.51) ALDH1A1KDM4EHTTGAAMEN1
SCHEMBL20915914 0.72 DRD2 (0.56)

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 ALDH1A1 1309/4885KDM4E 2856/4885GLA 3180/4885

“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.