SCHEMBL9893795

SCHEMBL9893795

CCOC(=O)C1(O)CN(c2cc(Cl)ccc2I)C(C2CCCCC2)=N1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGDR2 Q9Y5Y4 8/20 0.35
PTGDR Q13258 5/20 0.35
PTGER2 P43116 1/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.33
CASP3 P42574 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9893780 0.81 TSHR (0.33) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL1437343 0.79 KDM4E (0.40) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL9893812 0.74 BCL9 (0.40) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL1444984 0.73 SMN1; SMN2 (0.31) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9893874 0.69 GABRA2 (0.52) FAAH
SCHEMBL1437246 0.69 MEN1 (0.40) MEN1KMT2APOLBSMN1; SMN2OPRK1
SCHEMBL1437489 0.69 MEN1 (0.40) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL9893922 0.69 MDM2 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1437163 0.67 OPRK1 (0.40) MEN1KMT2APOLBRECQLSMN1; SMN2
SCHEMBL1437580 0.67 MAPT (0.43) MEN1KMT2APOLBMAPK1SMN1; SMN2

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 MEN1 510/4885KMT2A 1512/4885PTGDR2 4007/4885

“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.