SCHEMBL6732085

SCHEMBL6732085

Cc1ccccc1NCCCNC(=O)N(CCO)CCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
CASR P41180 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LDLR P01130 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAPK11 Q15759 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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 0.80 MEN1 (0.43) CASRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6737845 0.78 SIGMAR1 (0.46) CASRALDH1A1
SCHEMBL7723097 0.74 HSD17B10 (0.42) ALDH1A1KMT2AMEN1TDP1NFKB1
SCHEMBL7724227 0.74 ALDH1A1 (0.36) CASRALDH1A1KMT2AMEN1HPGD
SCHEMBL6731438 0.74 PKM (0.41) CASRALDH1A1KMT2AHPGD
SCHEMBL7724934 0.74 EPHX1 (0.41) ALDH1A1KMT2AMEN1TDP1NFKB1
SCHEMBL7729385 0.73 EPHX1 (0.41) ALDH1A1KMT2AMEN1TDP1NFKB1
SCHEMBL7216051 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL7213837 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL27501390 0.71 KMT2A (0.36) P2RX7CASRALDH1A1KMT2AMEN1

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 2 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

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 P2RX7 1129/4885CASR 4340/4885ALDH1A1 609/4885

“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.