SCHEMBL6897115

SCHEMBL6897115

CC(C)(C)[Si](C)(C)OCCNCCC1=CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 3/20 0.44
ALOX15 P16050 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20959585 0.76 ALDH1A1 (0.37) ALDH1A1RAB9AALOX15SMN1; SMN2TSHR
SCHEMBL2618045 0.75 ALDH1A1 (0.54) ALDH1A1RAB9AALOX15SMN1; SMN2TSHR
SCHEMBL844556 0.73 DUT (0.33)
SCHEMBL14195457 0.73 ALDH1A1 (0.59) ALDH1A1RAB9AALOX15SMN1; SMN2PKM
SCHEMBL15166734 0.72 DUT (0.33)
SCHEMBL15894023 0.71 ALDH1A1 (0.57) ALDH1A1RAB9AALOX15SMN1; SMN2TSHR
SCHEMBL6891380 0.69 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL20510046 0.68 DUT (0.33)
SCHEMBL6897953 0.67 KDM4E (0.32) ALDH1A1PKM
SCHEMBL1803181 0.67 HTR1B (0.31)

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 8 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
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP 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 (2 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 ALDH1A1 988/4885RAB9A 2498/4885ALOX15 2393/4885
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH ALDH1A1 1309/4885RAB9A 3117/4885ALOX15 1853/4885

“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.