SCHEMBL7723902

SCHEMBL7723902

O=C(NCc1ccncc1)N(CCO)CCC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
MAPT P10636 1/20 0.48
NAMPT P43490 10/20 0.45
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL7723229 0.99 EPHX1 (0.50) EPHX1MAPTNAMPTPKMALDH1A1
SCHEMBL7719571 0.99 EPHX1 (0.50) EPHX1MAPTNAMPTPKMALDH1A1
SCHEMBL7729158 0.99 EPHX1 (0.50) EPHX1MAPTNAMPTPKMALDH1A1
SCHEMBL1677833 0.88 EPHX1 (0.51) EPHX1MAPTNAMPTPKMALDH1A1
SCHEMBL1678055 0.87 EPHX1 (0.48) EPHX1MAPTNAMPTPKMALDH1A1
SCHEMBL7729401 0.87 HSD17B10 (0.48) EPHX1MAPTALDH1A1
SCHEMBL7723097 0.86 HSD17B10 (0.42) EPHX1MAPTNAMPTALDH1A1
SCHEMBL1677983 0.86 MAPT (0.47) EPHX1MAPTNAMPTALDH1A1
SCHEMBL1677831 0.86 MAPT (0.47) EPHX1MAPTNAMPTPKMALDH1A1
SCHEMBL7724934 0.85 EPHX1 (0.41) EPHX1MAPTNAMPTALDH1A1

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 EPHX1 1295/4885MAPT 3782/4885NAMPT 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.