SCHEMBL25112741

SCHEMBL25112741

COc1cncc2[nH]cc(C(=O)C(=O)N3CC(CCC(=O)c4ccccc4)C3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 5/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2B6 P20813 1/20 0.41
KCNH2 Q12809 1/20 0.41
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL6435944 0.80 CYP2C9 (0.69) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL16618524 0.78 CYP3A4 (0.72) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL16618899 0.78 CYP2C9 (0.49) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL6432734 0.76 CYP2D6 (0.70) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL25112951 0.76 CYP3A4 (0.57) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL25112509 0.75 CYP3A4 (0.56) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL25112010 0.70 CYP2C9 (0.39) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL10095036 0.68 CLK1 (0.37) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL16618517 0.67 CYP2C9 (0.81) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL17953047 0.67 CYP2C9 (0.81) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 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-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A CYP2C9 1646/4885CYP3A4 1119/4885CYP2C19 917/4885

“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.