SCHEMBL9983132

SCHEMBL9983132

CC(C(N)=O)N(C)c1cnc(-c2ccc(F)cc2)n(CC(=O)N(C)C2CCCc3ccccc32)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.37
HTR6 P50406 1/20 0.37
SPR P35270 1/20 0.36
ELANE P08246 6/20 0.36
GRIN2B Q13224 2/20 0.35
GRIN1 Q05586 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CMA1 P23946 2/20 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
SCHEMBL9983955 0.86 MEN1 (0.45) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2212463 0.83 XIAP (0.45) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2212678 0.83 XIAP (0.45) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2212677 0.83 XIAP (0.45) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2210909 0.76 MEN1 (0.43) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2210912 0.76 MEN1 (0.43) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2210906 0.76 MEN1 (0.43) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL9983036 0.75 PPARD (0.36) ELANECMA1
SCHEMBL2208708 0.74 XIAP (0.44) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2208710 0.74 XIAP (0.44) ALDH1A1XBP1HTTMEN1KMT2A

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-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 ALDH1A1 3484/4885XBP1 211/4885HTT 2507/4885

“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.