SCHEMBL6129187

SCHEMBL6129187

CC(C)COC(=O)NCCc1nc(-c2ccccc2-c2ccccc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NMBR P28336 2/20 0.42
TACR1 P25103 1/20 0.42
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM6B O15054 1/20 0.34
FTO Q9C0B1 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL1928193 0.89 LMNA (0.45) LMNAALDH1A1NMBRTACR1TSHR
SCHEMBL6129186 0.85 CNR2 (0.36) KDM6BFTOEGLN1KDM4CKDM5B
SCHEMBL1927484 0.80 LMNA (0.37) LMNAALDH1A1NMBRTACR1TSHR
SCHEMBL1927777 0.79 HRH3 (0.43) LMNAALDH1A1NMBRHSD17B10HRH3
SCHEMBL1928340 0.79 NMBR (0.38) LMNAALDH1A1NMBRTACR1TSHR
SCHEMBL1927553 0.78 HRH3 (0.48) LMNAALDH1A1NMBRHRH3FAAH
SCHEMBL1927750 0.77 HDAC3 (0.46) LMNAALDH1A1HTTKDM4EMEN1
SCHEMBL1928046 0.75 LTA4H (0.47) LMNAMAPK1FAAHMTNR1AMTNR1B
SCHEMBL1928682 0.75 RAB9A (0.41) LMNAALDH1A1MAPK1KDM4EHRH3
SCHEMBL1928543 0.75 FAAH (0.40) KDM4EMEN1KMT2AHDAC1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US claimed

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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 LMNA 4096/4885ALDH1A1 1758/4885NMBR 991/4885

“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.