SCHEMBL7729377

SCHEMBL7729377

CC(=O)SCCN(CCc1ccccc1)C(=O)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK14 Q16539 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7723860 0.90 L3MBTL1 (0.44) L3MBTL1HPGDALOX15TDP1POLB
SCHEMBL7723880 0.89 L3MBTL1 (0.43) L3MBTL1HPGDALOX15TDP1POLB
SCHEMBL7719562 0.84 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2D6MAPTMAPK14
SCHEMBL7719663 0.84 HPGD (0.59) L3MBTL1HPGDALOX15TDP1POLB
Hydrochloric Acid SCHEMBL7729370 0.83 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6MAPTMAPK14
SCHEMBL7723843 0.83 CYP1A2 (0.52) L3MBTL1HPGDSMN1; SMN2CYP1A2LMNA
SCHEMBL6895590 0.80 LPAR1 (0.47) TDP1POLBSMN1; SMN2CYP2D6MAPT
SCHEMBL7723864 0.80 RAB9A (0.51) HPGDTDP1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL7724742 0.79 EPHX2 (0.46) L3MBTL1HPGDPOLBSMN1; SMN2CYP1A2
SCHEMBL6898169 0.78 RAB9A (0.43) L3MBTL1TDP1SMN1; SMN2MAPTTSHR

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 L3MBTL1 3898/4885HPGD 327/4885ALOX15 2393/4885

“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.