SCHEMBL7724226

SCHEMBL7724226

O=C(NCCCc1cccnc1)N(CCO)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
ALDH1A1 P00352 1/20 0.53
PTAFR P25105 5/20 0.52
TBXAS1 P24557 7/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 1/20 0.46

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
SCHEMBL7719608 0.94 RAB9A (0.54) EPHX2ALDH1A1PTAFRTBXAS1MEN1
SCHEMBL7724191 0.89 KDM4E (0.50) EPHX2MEN1NPC1RAB9AKMT2A
SCHEMBL7723854 0.88 CYP1A2 (0.59) ALDH1A1RAB9AKMT2ASMN1; SMN2CYP1A2
SCHEMBL7729374 0.85 EPHX2 (0.54) EPHX2ALDH1A1PTAFRTBXAS1MEN1
SCHEMBL7723042 0.84 SMN1; SMN2 (0.51) EPHX2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7719685 0.83 KDM4E (0.42) EPHX2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7724193 0.83 SMN1; SMN2 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL7723067 0.82 HPGD (0.46) EPHX2NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7723054 0.79 RAB9A (0.51) EPHX2ALDH1A1PTAFRTBXAS1MEN1
SCHEMBL2841099 0.78 EPHX2 (0.65) EPHX2ALDH1A1PTAFRTBXAS1

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 1074/4885ALDH1A1 988/4885PTAFR 3401/4885

“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.