SCHEMBL7723044

SCHEMBL7723044

CC(=O)SCCN(CCCc1ccccc1)C(=O)NCCCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
POLB P06746 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7724742 0.96 EPHX2 (0.46) EPHX2SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7719578 0.91 RAB9A (0.40) EPHX2SMN1; SMN2KDM4ERAB9ANPC1
Fumaric Acid SCHEMBL7723100 0.91 TAAR1 (0.48) EPHX2SMN1; SMN2KDM4ERAB9ANPC1
Fumaric Acid SCHEMBL7723104 0.91 TAAR1 (0.48) EPHX2SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7723864 0.90 RAB9A (0.51) SMN1; SMN2RAB9ANPC1CYP2C9CYP2C19
SCHEMBL7729374 0.86 EPHX2 (0.54) EPHX2SMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL7719562 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ACYP2C9CYP2C19CYP2D6
SCHEMBL7722987 0.85 NAMPT (0.45) EPHX2SMN1; SMN2RAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL7729370 0.84 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ACYP2C9CYP2C19CYP2D6
SCHEMBL1678244 0.84 HPGD (0.50) EPHX2SMN1; SMN2KDM4ERAB9ANPC1

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 EPHX2 1074/4885SMN1; SMN2 4609/4885KDM4E 1720/4885

“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.