SCHEMBL9894088

SCHEMBL9894088

CCOC(=O)c1nc(CC2CCCC2)n(-c2cccc(Cl)c2F)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MDM2 Q00987 6/20 0.38
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
ELANE P08246 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 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
SCHEMBL9893904 0.99 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DMDM2
SCHEMBL9893701 0.84 MDM2 (0.53) PDE4BPDE4APDE4CPDE4DMDM2
SCHEMBL9894075 0.83 MDM2 (0.56) PDE4BPDE4APDE4CPDE4DMDM2
SCHEMBL1437067 0.83 MDM2 (0.57) PDE4BPDE4APDE4CPDE4DMDM2
SCHEMBL9894373 0.82 MDM2 (0.39) PDE4BPDE4APDE4CPDE4DMDM2
SCHEMBL9894021 0.80 GABRA2 (0.43) KDM4ETSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL1442132 0.79 GABRA2 (0.42) MDM2MDM4TP53KDM4ETSHR
SCHEMBL9893870 0.79 KDM4E (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL1437015 0.79 MDM2 (0.56) PDE4BMDM2SMN1; SMN2ALDH1A1LMNA
SCHEMBL1437573 0.77 MDM2 (0.41) PDE4BPDE4APDE4CPDE4DMDM2

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 PDE4B 3755/4885PDE4A 3278/4885PDE4C 3897/4885

“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.