SCHEMBL7719663

SCHEMBL7719663

O=C(NCc1ccccn1)N(CCO)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPK14 Q16539 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
SCHEMBL7719695 0.89 TDP1 (0.48) HPGDALOX15TDP1L3MBTL1POLB
SCHEMBL7723067 0.87 HPGD (0.46) HPGDALOX15TDP1L3MBTL1POLB
SCHEMBL7729377 0.84 L3MBTL1 (0.53) HPGDALOX15TDP1L3MBTL1POLB
SCHEMBL7723911 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2D6MAPTALDH1A1
SCHEMBL7723854 0.80 CYP1A2 (0.59) HPGDSMN1; SMN2CYP1A2MAPTALDH1A1
SCHEMBL7724193 0.77 SMN1; SMN2 (0.56) TDP1SMN1; SMN2CYP1A2CYP2D6ALDH1A1
SCHEMBL7724191 0.76 KDM4E (0.50) HPGDTDP1L3MBTL1POLBSMN1; SMN2
SCHEMBL4067173 0.74 HPGD (1.00) HPGDALOX15TDP1L3MBTL1POLB
SCHEMBL7719608 0.74 RAB9A (0.54) SMN1; SMN2CYP1A2ALDH1A1RAB9ANPC1
SCHEMBL27669824 0.74 TDP1 (0.50) TDP1SMN1; SMN2MAPTALDH1A1RAB9A

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 HPGD 327/4885ALOX15 2393/4885TDP1 2244/4885

“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.