SCHEMBL9893780

SCHEMBL9893780

CCOC(=O)C1(O)CN(c2c(I)ccc(Cl)c2F)C(C2CCCCCC2)=N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MDM2 Q00987 3/20 0.33
MDM4 O15151 2/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CASP3 P42574 1/20 0.31
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
OPRM1 P35372 1/20 0.30
ALOX15 P16050 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL1438488 1.00 TSHR (0.33) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1437343 0.83 KDM4E (0.40) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL9893795 0.81 MEN1 (0.35) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1437295 0.76 MEN1 (0.39) TSHRSMN1; SMN2POLBALDH1A1TP53
SCHEMBL9893911 0.71 MDM2 (0.37) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL9893625 0.70 GABRA2 (0.41) ALDH1A1KMT2A
SCHEMBL1437305 0.70 GABRA2 (0.41) ALDH1A1KMT2A
SCHEMBL9894266 0.70 KDM4E (0.37) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1437544 0.69 KDM4E (0.32) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1437429 0.66 ALDH1A1 (0.36) TSHRSMN1; SMN2KDM4EPOLBALDH1A1

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
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 EP disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 US disclosed
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 TSHR 2350/4885SMN1; SMN2 886/4885KDM4E 983/4885

“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.