SCHEMBL7724191

SCHEMBL7724191

O=C(NCCCc1ccncc1)N(CCO)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
EPHX2 P34913 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 2/20 0.45
EPHX1 P07099 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL7723042 0.95 SMN1; SMN2 (0.51) KDM4EEPHX2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7719685 0.95 KDM4E (0.42) KDM4EEPHX2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7724193 0.94 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1CYP2C9CYP2C19
SCHEMBL7724226 0.89 EPHX2 (0.57) EPHX2SMN1; SMN2RAB9ANPC1CYP2C9
SCHEMBL7723911 0.88 SMN1; SMN2 (0.56) KDM4EEPHX2SMN1; SMN2RAB9AGAA
SCHEMBL7724929 0.88 NAMPT (0.47) KDM4EEPHX2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL1678266 0.86 HPGD (0.49) KDM4EEPHX2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL1677742 0.86 CYP1A2 (0.47) KDM4EEPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7723067 0.85 HPGD (0.46) KDM4EEPHX2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7724742 0.83 EPHX2 (0.46) KDM4EEPHX2SMN1; SMN2L3MBTL1RAB9A

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

“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.