SCHEMBL3283452

SCHEMBL3283452

CCOC(=O)c1cnc(C)nc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
CYP1A2 P05177 2/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CSNK1D P48730 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 4/20 0.46

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
SCHEMBL3278900 0.85 CYP1A2 (0.48) ALDH1A1CYP1A2POLBCYP2C9CYP2C19
SCHEMBL11358294 0.84 FOS (0.51) ALDH1A1NFKB1NFKB2RELAFOS
SCHEMBL10995375 0.84 HSP90AA1 (0.65) ALDH1A1NFKB1NFKB2RELACYP1A2
SCHEMBL30996914 0.83 RAB9A (0.56) ALDH1A1NFKB1NFKB2RELAFOS
SCHEMBL1669574 0.83 RAB9A (0.56) ALDH1A1NFKB1NFKB2RELAFOS
SCHEMBL3278294 0.81 MEN1 (0.61) ALDH1A1NFKB1NFKB2RELAFOS
SCHEMBL31148410 0.81 MEN1 (0.61) ALDH1A1NFKB1NFKB2RELAFOS
SCHEMBL1900150 0.81 ALDH1A1 (0.60) ALDH1A1NFKB1NFKB2RELAJUN
SCHEMBL1904804 0.81 FOS (0.53) ALDH1A1NFKB1NFKB2RELAFOS
SCHEMBL9496451 0.81 ALDH1A1 (0.51) ALDH1A1NFKB1NFKB2RELAFOS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705007-B2 Cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
EP-1979338-A1 CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082805-A1 CIS-4, 5-BIARYL-2-HETEROCYCLIC-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167437-A1 Cis-imidazolines FOTOUHI NADER 2007-07-19 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-20070167437-A1 Cis-imidazolines CCNI, CCNE1, CCNA1 ALDH1A1 613/4885NFKB1 1337/4885NFKB2 1564/4885

“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.