SCHEMBL2744402

SCHEMBL2744402

CC(C)(CNc1c([N+](=O)[O-])c(Cl)nc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
LATS1 O95835 1/20 0.42
EGFR P00533 1/20 0.42
ACACB O00763 4/20 0.39
ACACA Q13085 2/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
NCEH1 Q6PIU2 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
BCHE P06276 2/20 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
SCHEMBL843596 0.86 BCHE (0.49) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL29381474 0.85 EGFR (0.55) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL212541 0.85 EGFR (0.55) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8137366 0.84 BCHE (0.47) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8125697 0.84 BCHE (0.47) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL2747884 0.83 GAA (0.51) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL14594180 0.83 GAA (0.67) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3170951 0.83 EGFR (0.47) MEN1KMT2ARAB9AGAAEGFR
SCHEMBL212372 0.83 EGFR (0.48) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL14950224 0.83 EGFR (0.47) MEN1KMT2ARAB9ANPC1GAA

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-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8178677-B2 Hydroxyalkyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 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 (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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 MEN1 4113/4885KMT2A 2737/4885RAB9A 2711/4885
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines IFNG, IRF3, IFNAR1 MEN1 4492/4885KMT2A 1364/4885RAB9A 2575/4885

“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.