SCHEMBL4029852

SCHEMBL4029852

CC(C)(C)c1ccc(CNCc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
KMT2A Q03164 5/20 0.54
HTT P42858 2/20 0.54
CHRM2 P08172 1/20 0.50
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL20902781 0.89 CA1 (0.65) CYP2C19CA1CA2KMT2AMEN1
SCHEMBL3273909 0.88 L3MBTL1 (0.68) LMNACYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4026088 0.86 L3MBTL1 (0.66) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3943505 0.85 CHRM2 (0.57) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL184001 0.82 LMNA (0.77) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1796909 0.82 LMNA (0.77) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22280328 0.82 LMNA (0.59) LMNACA1CA2KMT2AMEN1
SCHEMBL5176867 0.81 ANPEP (0.50) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5177721 0.81 KMT2A (0.66) LMNAKMT2AHTTCHRM2SMN1; SMN2
SCHEMBL6284119 0.81 SMN1; SMN2 (0.49) LMNACYP3A4CYP2D6CYP2C9CYP2C19

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
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP LMNA 883/4885CYP3A4 189/4885CYP2D6 394/4885

“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.