SCHEMBL7723880

SCHEMBL7723880

CC(=O)SCCN(CCc1ccccc1)C(=O)NCCCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 3/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
EPHX2 P34913 1/20 0.40
RAF1 P04049 2/20 0.40
MAP2K1 Q02750 2/20 0.40
NAMPT P43490 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7723860 0.94 L3MBTL1 (0.44) L3MBTL1POLBHPGDALOX15TDP1
SCHEMBL7729377 0.89 L3MBTL1 (0.53) L3MBTL1POLBHPGDALOX15TDP1
SCHEMBL7724742 0.87 EPHX2 (0.46) L3MBTL1POLBHPGDNPC1RAB9A
SCHEMBL7723067 0.85 HPGD (0.46) L3MBTL1POLBHPGDALOX15TDP1
SCHEMBL7729374 0.84 EPHX2 (0.54) NPC1RAB9AEPHX2NAMPTCYP2C19
SCHEMBL7723044 0.83 EPHX2 (0.46) L3MBTL1POLBHPGDNPC1RAB9A
Fumaric Acid SCHEMBL7723104 0.83 TAAR1 (0.48) L3MBTL1POLBHPGDNPC1RAB9A
Fumaric Acid SCHEMBL7723100 0.83 TAAR1 (0.48) L3MBTL1POLBHPGDNPC1RAB9A
SCHEMBL7719578 0.82 RAB9A (0.40) POLBNPC1RAB9AEPHX2NAMPT
SCHEMBL7723864 0.82 RAB9A (0.51) HPGDTDP1NPC1RAB9ANAMPT

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 L3MBTL1 3898/4885POLB 2878/4885HPGD 327/4885

“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.