SCHEMBL4159641

SCHEMBL4159641

CC(C)(C)c1ccc(CNC(=O)Cc2cccc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
HPGD P15428 1/20 0.69
PTPN1 P18031 1/20 0.56
LMNA P02545 2/20 0.54
NR1I2 O75469 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
ACHE P22303 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
ROS1 P08922 1/20 0.53
RPS6KB1 P23443 1/20 0.53
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
VNN1 O95497 1/20 0.50

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
SCHEMBL4022175 0.87 ROS1 (0.73) KMT2AMEN1HPGDLMNAROS1
SCHEMBL24822417 0.85 KMT2A (0.67) KMT2AMEN1HPGDPTPN1LMNA
SCHEMBL6858815 0.82 LMNA (0.56) KMT2AMEN1HPGDLMNANR1I2
SCHEMBL5176966 0.82 ERCC1 (0.61) KMT2AMEN1LMNARAB9A
SCHEMBL3945452 0.82 LMNA (0.62) LMNARAB9A
SCHEMBL3278159 0.81 LMNA (0.68) KMT2AMEN1LMNARAB9A
SCHEMBL3586127 0.81 EPHX2 (0.56) LMNARAB9AVNN1
SCHEMBL30029284 0.80 MC5R (0.61) KMT2AMEN1HPGDLMNANR1I2
SCHEMBL12250922 0.80 ATM (0.57) KMT2AMEN1HPGDPTPN1LMNA
SCHEMBL9721995 0.80 MC5R (0.61) KMT2AMEN1HPGDLMNANR1I2

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 2 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

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 KMT2A 4396/4885MEN1 1778/4885HPGD 1184/4885

“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.