SCHEMBL6731438

SCHEMBL6731438

CN(C)CCNC(=O)N(CCO)CCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
EPHX1 P07099 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CASR P41180 1/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
KDM5A P29375 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4A O75164 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL6737845 0.93 SIGMAR1 (0.46) PKMSIGMAR1EPHX1CASRALDH1A1
SCHEMBL6734367 0.83 PKM (0.37) PKMSIGMAR1EPHX1L3MBTL1CNR1
SCHEMBL6739579 0.82 SIGMAR1 (0.36) SIGMAR1EPHX1L3MBTL1CASRALDH1A1
SCHEMBL7220238 0.80 CA12 (0.40) SIGMAR1KMT2AALDH1A1
SCHEMBL7213907 0.80 CA12 (0.40) SIGMAR1KMT2AALDH1A1
SCHEMBL27457772 0.80 CA12 (0.40) SIGMAR1KMT2AALDH1A1
SCHEMBL7213998 0.80 SIGMAR1 (0.46) SIGMAR1CNR1ALDH1A1
SCHEMBL7220288 0.80 ALDH1A1 (0.34) SIGMAR1ALDH1A1
SCHEMBL7214016 0.79 ACKR3 (0.40) SIGMAR1EPHX1ALDH1A1
SCHEMBL7214022 0.79 ACKR3 (0.40) SIGMAR1EPHX1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188394-C N-substituted-N' -substituted urea derivatives and pharmaceutical compositions containing the same SANTEN PHARMACEUTICAL CO LTD (JP) 2005-02-09 CN disclosed
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
CN-1348443-A N-substituted-N' -substituted urea derivatives and pharmaceutical compositions containing the same SANTEN PHARMACEUTICAL CO LTD (JP) 2002-05-08 CN 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 PKM 4021/4885SIGMAR1 551/4885EPHX1 2802/4885

“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.