SCHEMBL7723819

SCHEMBL7723819

CC(C)(C)[Si](C)(C)OCCN(CCC1=CCCCC1)C(=O)NCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 4/20 0.35
ALOX15 P16050 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRMT3 O60678 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MMP13 P45452 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7724171 0.82 EPHX1 (0.46) EPHX1ALDH1A1L3MBTL1RAB9AALOX15
SCHEMBL7725021 0.79 EPHX1 (0.42) EPHX1ALDH1A1L3MBTL1RAB9AALOX15
SCHEMBL6896745 0.79 KMT2A (0.39) ALDH1A1L3MBTL1RAB9AALOX15MAPK1
SCHEMBL7723861 0.79 NAMPT (0.42) ALDH1A1L3MBTL1RAB9AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7719688 0.79 EPHX1 (0.41) EPHX1ALDH1A1L3MBTL1RAB9AALOX15
SCHEMBL7729364 0.76 KDM4E (0.38) L3MBTL1RAB9ATSHRPOLBNPC1
SCHEMBL6896973 0.71 LPAR1 (0.40) TSHRPOLBMEN1KMT2A
SCHEMBL27538343 0.69 CYP17A1 (0.36) ALDH1A1L3MBTL1TSHRPOLBMAPT
SCHEMBL27538345 0.69 CYP17A1 (0.36) ALDH1A1L3MBTL1TSHRPOLBMAPT
SCHEMBL7729371 0.67 ALDH1A1 (0.44) EPHX1ALDH1A1MAPK1KMT2AMAPT

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 EPHX1 1295/4885ALDH1A1 988/4885L3MBTL1 3898/4885

“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.