SCHEMBL3094076

SCHEMBL3094076

CN(C)CCNC(C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C=CC(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
TRPV1 Q8NER1 9/20 0.46
TNIK Q9UKE5 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IMPDH2 P12268 1/20 0.38

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
SCHEMBL3094063 1.00 HDAC1 (0.48) HDAC1HDAC3HDAC2TRPV1TNIK
SCHEMBL3086747 0.88 HDAC1 (0.61) HDAC1HDAC3HDAC2TRPV1TNIK
SCHEMBL3086750 0.88 HDAC1 (0.61) HDAC1HDAC3HDAC2TRPV1TNIK
SCHEMBL3090597 0.83 TRPV1 (0.54) HDAC1HDAC3HDAC2TRPV1TNIK
SCHEMBL3090599 0.83 TRPV1 (0.54) HDAC1HDAC3HDAC2TRPV1TNIK
SCHEMBL3104997 0.81 HDAC1 (0.72) HDAC1HDAC3HDAC2KDM4EUTS2R
SCHEMBL3105009 0.81 HDAC1 (0.72) HDAC1HDAC3HDAC2KDM4EUTS2R
SCHEMBL8029157 0.80 TRPV1 (0.50) HDAC1TRPV1TNIKKDM4EMAPT
SCHEMBL3095252 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC2
SCHEMBL3092147 0.78 HDAC1 (0.64) HDAC1HDAC3HDAC2TRPV1TNIK

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
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO 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-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD HDAC1 815/4885HDAC3 1401/4885HDAC2 973/4885

“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.