SCHEMBL7602234

SCHEMBL7602234

CC1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C[C@@H]2CCN(C(=O)NC3CCCCC3)C2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.45
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 2/20 0.41
BACE1 P56817 4/20 0.39
CTSD P07339 1/20 0.39
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 2/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN5A Q14524 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8205352 1.00 FASN (0.45) FASNHSD11B1ALDH1A1BACE1CTSD
SCHEMBL2967070 0.88 FASN (0.57) FASN
SCHEMBL7570981 0.88 FASN (0.57) FASN
SCHEMBL2967073 0.88 FASN (0.57) FASN
SCHEMBL12174323 0.88 FASN (0.57) FASN
SCHEMBL2957288 0.88 FASN (0.46) FASNBACE1CTSDL3MBTL1
SCHEMBL2957285 0.88 FASN (0.46) FASNBACE1CTSDL3MBTL1
SCHEMBL17707722 0.88 FASN (0.46) FASNBACE1CTSDL3MBTL1
SCHEMBL12410230 0.87 FASN (0.50) FASNBACE1CTSD
SCHEMBL7537723 0.87 FASN (0.50) FASNBACE1CTSD

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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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 (2 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 FASN 3111/4885HSD11B1 1571/4885ALDH1A1 4505/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D FASN 3597/4885HSD11B1 1682/4885ALDH1A1 3943/4885

“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.