SCHEMBL6737845

SCHEMBL6737845

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 2/20 0.36
DNM1 Q05193 1/20 0.35
PKM P14618 1/20 0.35
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4A O75164 1/20 0.35
CASR P41180 1/20 0.34
METAP2 P50579 1/20 0.34
MAPK14 Q16539 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6731438 0.93 PKM (0.41) SIGMAR1LMNAALDH1A1EPHX1PKM
SCHEMBL6741613 0.85 SIGMAR1 (0.40) SIGMAR1LMNAALDH1A1EPHX1DNM1
SCHEMBL6732080 0.82 MEN1 (0.43) ALDH1A1EPHX1PKMCASRBCHE
SCHEMBL7213837 0.82 ALDH1A1 (0.47) SIGMAR1ALDH1A1EPHX1
SCHEMBL7216051 0.82 ALDH1A1 (0.47) SIGMAR1ALDH1A1EPHX1
SCHEMBL6739579 0.81 SIGMAR1 (0.36) SIGMAR1LMNAALDH1A1EPHX1KDM5A
SCHEMBL7724227 0.80 ALDH1A1 (0.36) SIGMAR1ALDH1A1EPHX1CASR
SCHEMBL7213907 0.79 CA12 (0.40) SIGMAR1ALDH1A1KDM4E
SCHEMBL7220238 0.79 CA12 (0.40) SIGMAR1ALDH1A1KDM4E
SCHEMBL27457772 0.79 CA12 (0.40) SIGMAR1ALDH1A1KDM4E

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 SIGMAR1 551/4885LMNA 3161/4885ALDH1A1 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.