SCHEMBL7729401

SCHEMBL7729401

O=C(NCCc1ccncc1)N(CCO)CCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.40
EPHX1 P07099 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PRMT3 O60678 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
SCHEMBL7723097 0.94 HSD17B10 (0.42) HSD17B10EPHX2ALDH1A1LMNAEPHX1
SCHEMBL7724934 0.93 EPHX1 (0.41) HSD17B10ALDH1A1LMNAEPHX1MAPT
SCHEMBL7729385 0.92 EPHX1 (0.41) HSD17B10ALDH1A1LMNAEPHX1MAPT
SCHEMBL7723229 0.88 EPHX1 (0.50) ALDH1A1LMNAEPHX1MAPTRAB9A
SCHEMBL7729158 0.88 EPHX1 (0.50) ALDH1A1LMNAEPHX1MAPTRAB9A
SCHEMBL7719571 0.88 EPHX1 (0.50) ALDH1A1LMNAEPHX1MAPTRAB9A
SCHEMBL7723902 0.87 EPHX1 (0.48) ALDH1A1EPHX1MAPT
SCHEMBL7723950 0.85 HSD17B10 (0.43) HSD17B10EPHX2ALDH1A1LMNAEPHX1
SCHEMBL7723062 0.85 ALDH1A1 (0.46) HSD17B10ALDH1A1EPHX1MAPTKMT2A
SCHEMBL7723885 0.84 HSD17B10 (0.41) HSD17B10ALDH1A1LMNAEPHX1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 HSD17B10 2060/4885EPHX2 1074/4885ALDH1A1 988/4885

“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.