SCHEMBL1477899

SCHEMBL1477899

CCCCCCCCCCC(=O)NC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
FAAH O00519 7/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.53
DNM1 Q05193 1/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SOAT1 P35610 1/20 0.48
PPARG P37231 4/20 0.48
PPARD Q03181 4/20 0.48
PPARA Q07869 4/20 0.48
TSHR P16473 3/20 0.48
GPR84 Q9NQS5 3/20 0.48

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
SCHEMBL9115551 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL1792313 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL17275506 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Octanoylurea SCHEMBL28332644 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Hexane SCHEMBL813904 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL1098962 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL8157139 0.98 HSP90AA1 (0.56) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL4727560 0.91 MAPT (0.52) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL769869 0.89 FAAH (0.68) FAAHMEN1KMT2AMAPTTP53
SCHEMBL28100380 0.89 FAAH (0.68) FAAHMEN1KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US claimed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US claimed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
CN-113376965-A Coloring composition and compound 住友化学株式会社 2021-09-10 CN 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 (3 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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 HSP90AA1 368/4885FAAH 2699/4885MEN1 2324/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HSP90AA1 368/4885FAAH 2699/4885MEN1 2324/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 HSP90AA1 368/4885FAAH 2699/4885MEN1 2324/4885

“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.