SCHEMBL9926525

SCHEMBL9926525

Cc1c(CC(=O)OC(C)(C)C)ccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.34
MEP1B Q16820 1/20 0.33
P2RX7 Q99572 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
IDO1 P14902 2/20 0.33
CFD P00746 1/20 0.32

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
SCHEMBL31045879 0.89 MTNR1A (0.45) MTNR1AMTNR1BHTTKDM4EALDH1A1
SCHEMBL31045663 0.84 MTNR1A (0.47) MTNR1AMTNR1BHTTKDM4EALDH1A1
SCHEMBL9926555 0.83 MEP1B (0.41) HTTKDM4EALDH1A1L3MBTL1MEP1B
SCHEMBL9926582 0.80 IDO1 (0.38) HTTKDM4EALDH1A1L3MBTL1P2RX7
SCHEMBL31045837 0.79 MTNR1A (0.44) MTNR1AMTNR1BHTTKDM4EALDH1A1
SCHEMBL9926557 0.79 CXCL8 (0.41) SMN1; SMN2
SCHEMBL9926581 0.79 CA1 (0.48) HTTKDM4EALDH1A1P2RX7
SCHEMBL9926662 0.78 ICMT (0.38) HTTP2RX7
SCHEMBL9926670 0.77 PIK3CD (0.40) HTTKDM4EALDH1A1P2RX7
SCHEMBL31062319 0.77 SSTR4 (0.42) MTNR1AMTNR1BKDM4EALDH1A1

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MTNR1A 214/4885MTNR1B 443/4885HTT 82/4885

“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.