SCHEMBL11987754

SCHEMBL11987754

CC(C(=O)N(C)C)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
EPHX1 P07099 1/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 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
SCHEMBL27607410 0.82 ALOX5 (0.47) FAAHALOX5
SCHEMBL4425970 0.80 KMT2A (0.44) FAAHTDP1
SCHEMBL26015528 0.80 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL2055559 0.79 PTGS2 (0.48) FAAHPTGS2ALDH1A1ALOX5CYP2D6
SCHEMBL8246986 0.79 PTGS2 (0.48) FAAHPTGS2ALDH1A1ALOX5CYP2D6
SCHEMBL2055557 0.79 PTGS2 (0.48) FAAHPTGS2ALDH1A1ALOX5CYP2D6
SCHEMBL27513027 0.79 EPHX1 (0.42) EPHX1PTGS2ALDH1A1TDP1ALOX5
SCHEMBL13185575 0.78 TP53 (0.46) FAAHPTGS2ALDH1A1TP53
SCHEMBL1203969 0.78 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL1203966 0.78 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4ALOX15MAPK1

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-8247550-B2 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. (US) 2012-08-21 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 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-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 FAAH 487/4885EPHX1 2011/4885PTGS2 1393/4885

“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.