SCHEMBL3241541

SCHEMBL3241541

CC(C)(C)c1ccc(CNCCc2ccc(OCc3ccccc3)c(C(C)(C)C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
BCHE P06276 12/20 0.53
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
GAA P10253 2/20 0.46
MITF O75030 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL3240005 0.83 BCHE (0.70) BCHEKMT2AMEN1
SCHEMBL7279743 0.80 SLC2A1 (0.80) SLC2A1BCHEKDM4ESMN1; SMN2LMNA
SCHEMBL12772068 0.79 MRGPRX4 (0.52) SMN1; SMN2HTT
SCHEMBL3240039 0.79 GAA (0.67) BCHEKDM4ELMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3237668 0.76 RXRA (0.49) KDM4ELMNAKMT2AMEN1
SCHEMBL18587451 0.75 RXRA (0.53) KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL5177175 0.75 CA1 (0.52) BCHEKDM4EKMT2AGAAMITF
SCHEMBL3945922 0.75 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7279749 0.74 SLC2A1 (0.89) SLC2A1BCHEKDM4ESMN1; SMN2LMNA
SCHEMBL5175955 0.73 BCHE (0.53) BCHEKDM4ESMN1; SMN2ALDH1A1KMT2A

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
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 SLC2A1 3651/4885BCHE 593/4885KDM4E 1993/4885

“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.