SCHEMBL7729340

SCHEMBL7729340

O=C(NCc1ccncc1)N(CCO)CCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.49
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 2/20 0.41
EPHX1 P07099 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.40
GSK3B P49841 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
SCHEMBL7724184 0.85 NAMPT (0.47) NAMPTCYP3A4CYP1A2TDP1L3MBTL1
SCHEMBL7723861 0.81 NAMPT (0.42) NAMPTCYP3A4CYP1A2TDP1L3MBTL1
SCHEMBL7719571 0.79 EPHX1 (0.50) NAMPTMAPTEPHX1ALDH1A1
SCHEMBL7729158 0.79 EPHX1 (0.50) NAMPTMAPTEPHX1ALDH1A1
SCHEMBL7723229 0.79 EPHX1 (0.50) NAMPTMAPTEPHX1ALDH1A1
SCHEMBL7723902 0.77 EPHX1 (0.48) NAMPTMAPTEPHX1ALDH1A1
SCHEMBL1677850 0.76 HDAC1 (0.50) NAMPTCYP3A4CYP1A2TDP1L3MBTL1
SCHEMBL7724999 0.75 LMNA (0.49) NAMPTCYP3A4MAPTALDH1A1POLB
SCHEMBL7723911 0.75 SMN1; SMN2 (0.56) NAMPTCYP3A4CYP1A2MAPTALDH1A1
SCHEMBL7724171 0.74 EPHX1 (0.46) L3MBTL1MAPTEPHX1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147469-C Novel urea derivatives bearing nitrogenous aromatic heterocycles ������ҩ��ʽ���� 2004-04-28 CN disclosed
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 NAMPT 3320/4885CYP3A4 1669/4885CYP1A2 1721/4885

“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.