SCHEMBL4028264

SCHEMBL4028264

CC(C)(C)c1ccc(CNCc2cccc(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.58
CHRM2 P08172 1/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL3571060 0.88 HDAC1 (0.62) HDAC1CHRM2CYP1A2CYP2C19CYP3A4
SCHEMBL12520868 0.86 CHRM2 (0.57) HDAC1CHRM2CYP1A2CYP2C19CYP3A4
SCHEMBL6692374 0.85 CA1 (0.45) HDAC1CHRM2CYP1A2CYP2C19CA1
SCHEMBL3959831 0.83 MEN1 (0.63) CHRM2CYP1A2CYP2C19CA1CA2
SCHEMBL7066938 0.82 CHRM2 (0.74) HDAC1CHRM2CYP1A2CYP2C19CYP3A4
SCHEMBL15110660 0.81 CHRM2 (0.67) HDAC1CHRM2CYP1A2CYP2C19CYP3A4
SCHEMBL13905418 0.81 SLC2A4 (0.59) CYP1A2CYP3A4CA1CA2KMT2A
SCHEMBL20902781 0.80 CA1 (0.65) CYP1A2CYP2C19CA1CA2MEN1
SCHEMBL3939260 0.79 MEN1 (0.56) CYP1A2CYP2C19CA1CA2MEN1
SCHEMBL9418008 0.78 HTT (0.50) CYP1A2CYP2C19CA1CA2MEN1

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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP HDAC1 818/4885CHRM2 662/4885CYP1A2 318/4885

“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.