SCHEMBL7729385

SCHEMBL7729385

O=C(NCCCCCc1ccncc1)N(CCO)CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 4/20 0.39
NAMPT P43490 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
USP1 O94782 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7724934 0.99 EPHX1 (0.41) EPHX1HSD17B10ALDH1A1NAMPTKMT2A
SCHEMBL7723097 0.96 HSD17B10 (0.42) EPHX1HSD17B10ALDH1A1NAMPTKMT2A
SCHEMBL7729401 0.92 HSD17B10 (0.48) EPHX1HSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7724175 0.86 ALDH1A1 (0.38) EPHX1HSD17B10ALDH1A1NAMPTKMT2A
SCHEMBL7723885 0.86 HSD17B10 (0.41) EPHX1HSD17B10ALDH1A1NAMPTKMT2A
SCHEMBL7719571 0.85 EPHX1 (0.50) EPHX1ALDH1A1NAMPTRAB9AMAPT
SCHEMBL7729158 0.85 EPHX1 (0.50) EPHX1ALDH1A1NAMPTRAB9AMAPT
SCHEMBL7723229 0.85 EPHX1 (0.50) EPHX1ALDH1A1NAMPTRAB9AMAPT
Hydrochloric Acid SCHEMBL7722988 0.85 HSD17B10 (0.41) EPHX1HSD17B10ALDH1A1NAMPTKMT2A
SCHEMBL7724992 0.85 ALDH1A1 (0.38) EPHX1HSD17B10ALDH1A1NAMPTKMT2A

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 EPHX1 1295/4885HSD17B10 2060/4885ALDH1A1 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.