SCHEMBL6732265

SCHEMBL6732265

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCN(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
GFER P55789 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
BCHE P06276 2/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 2/20 0.38
CASR P41180 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL6732080 0.88 MEN1 (0.43) ALDH1A1MAPTTSHRGFERSMN1; SMN2
SCHEMBL6741613 0.85 SIGMAR1 (0.40) ALDH1A1MAPTUSP2CYP3A4CYP2D6
SCHEMBL7719576 0.81 OPRM1 (0.35) ALDH1A1MAPTKMT2AUSP2CYP3A4
SCHEMBL6734367 0.80 PKM (0.37) ALDH1A1MAPTKMT2AUSP2CYP3A4
SCHEMBL7723935 0.80 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL7724992 0.79 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1USP2
Hydrochloric Acid SCHEMBL7725033 0.79 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL7724175 0.78 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL7214804 0.77 ALDH1A1 (0.42) ALDH1A1MAPTTSHRSMN1; SMN2KMT2A
SCHEMBL7220076 0.77 ALDH1A1 (0.42) ALDH1A1MAPTTSHRSMN1; SMN2KMT2A

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-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS ALDH1A1 609/4885MAPT 769/4885TSHR 3147/4885

“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.