SCHEMBL7724929

SCHEMBL7724929

O=C(NCCCc1ccncc1)N(CCO)CCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DRD4 P21917 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
PRMT3 O60678 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AKT3 Q9Y243 1/20 0.38

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
SCHEMBL7719685 0.92 KDM4E (0.42) NAMPTNPC1RAB9AEPHX2L3MBTL1
SCHEMBL7724191 0.88 KDM4E (0.50) NPC1RAB9AEPHX2L3MBTL1CYP3A4
SCHEMBL7723034 0.84 DAGLB (0.46) NAMPTEPHX2KDM4E
SCHEMBL7722987 0.84 NAMPT (0.45) NAMPTNPC1RAB9AEPHX2L3MBTL1
SCHEMBL7723042 0.82 SMN1; SMN2 (0.51) NPC1RAB9AEPHX2L3MBTL1SMN1; SMN2
SCHEMBL7729354 0.81 NAMPT (0.50) NAMPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL7724193 0.81 SMN1; SMN2 (0.56) NAMPTNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL7724226 0.77 EPHX2 (0.57) NPC1RAB9AEPHX2CYP3A4ALDH1A1
SCHEMBL7723097 0.77 HSD17B10 (0.42) NAMPTRAB9AEPHX2L3MBTL1CYP3A4
SCHEMBL1677824 0.77 NAAA (0.48) NAMPTNPC1RAB9ASMN1; SMN2KDM4E

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 NAMPT 3320/4885NPC1 3850/4885RAB9A 2498/4885

“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.