SCHEMBL427419

SCHEMBL427419

CN(C(=O)n1cnc(-c2ccc(O)c([N+](=O)[O-])c2)c1)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CES2 O00748 1/20 0.48
TGFBR1 P36897 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
CMKLR1 Q99788 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
SCHEMBL14937605 0.88 FAAH (0.51) FAAHCES2TGFBR1RAB9ANPC1
SCHEMBL14937556 0.88 FAAH (0.46) FAAHCES2RAB9ANPC1LMNA
SCHEMBL427883 0.85 FAAH (0.48) FAAHCES2TGFBR1KDM4EPIK3CD
SCHEMBL7899710 0.85 FAAH (0.48) FAAHCES2TGFBR1PIK3CDPIK3CA
SCHEMBL14937765 0.84 FAAH (0.52) FAAHCES2RAB9ANPC1LMNA
SCHEMBL427732 0.84 FAAH (0.53) FAAHCES2TGFBR1RAB9ANPC1
SCHEMBL424923 0.83 FAAH (0.46) FAAHCES2TGFBR1PIK3CDMAPK1
SCHEMBL427857 0.83 FAAH (0.44) FAAHCES2KMT2AMAPK1
SCHEMBL424911 0.83 FAAH (0.48) FAAHCES2TGFBR1KDM4EPIK3CD
SCHEMBL14950261 0.82 FAAH (0.53) FAAHCES2TGFBR1RAB9ANPC1

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885TGFBR1 4727/4885

“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.