SCHEMBL7724199

SCHEMBL7724199

CC(=O)SCCNC(=O)N(CCC1CCCCC1)Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SLC2A1 P11166 1/20 0.38
NAMPT P43490 1/20 0.38
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 2/20 0.36
MCHR1 Q99705 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PRMT3 O60678 1/20 0.35
ACHE P22303 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 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
SCHEMBL7723950 0.87 HSD17B10 (0.43) ALDH1A1NAMPTEPHX1MAPTKMT2A
SCHEMBL7723935 0.86 ALDH1A1 (0.39) ALDH1A1NAMPTEPHX1MAPTKMT2A
Hydrochloric Acid SCHEMBL7725033 0.85 ALDH1A1 (0.38) ALDH1A1NAMPTEPHX1MAPTKMT2A
SCHEMBL7724992 0.85 ALDH1A1 (0.38) ALDH1A1NAMPTEPHX1MAPTKMT2A
SCHEMBL7723062 0.85 ALDH1A1 (0.46) ALDH1A1SLC2A1NAMPTEPHX1MAPT
SCHEMBL7723011 0.84 EPHX1 (0.45) ALDH1A1NAMPTEPHX1MAPTMAPK1
SCHEMBL7719582 0.84 EPHX1 (0.45) ALDH1A1NAMPTEPHX1MAPTMAPK1
SCHEMBL7729389 0.84 EPHX1 (0.45) ALDH1A1NAMPTEPHX1MAPTMAPK1
SCHEMBL7724175 0.84 ALDH1A1 (0.38) ALDH1A1NAMPTEPHX1MAPTKMT2A
Hydrochloric Acid SCHEMBL7725020 0.84 EPHX1 (0.44) ALDH1A1NAMPTEPHX1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147469-C Novel urea derivatives bearing nitrogenous aromatic heterocycles ������ҩ��ʽ���� 2004-04-28 CN 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
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 ALDH1A1 988/4885SLC2A1 4089/4885NAMPT 3320/4885

“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.