SCHEMBL9893993

SCHEMBL9893993

CCOC(=O)C1(O)CN(c2cccc(Cl)c2F)C(c2ccccc2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.43
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAF1 P04049 1/20 0.36
PDE4B Q07343 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
RIPK1 Q13546 1/20 0.35
P2RY1 P47900 2/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL10002428 0.85 MDM2 (0.44) MDM2NOTUMALDH1A1RAF1PDE4B
SCHEMBL1437429 0.81 ALDH1A1 (0.36) MDM2NOTUMSMN1; SMN2ALDH1A1ALOX15
SCHEMBL1437481 0.81 RXFP1 (0.42) MDM2NOTUMSMN1; SMN2ALDH1A1RAB9A
SCHEMBL9893922 0.81 MDM2 (0.44) MDM2SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL23027868 0.81 GABRA2 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1440045 0.81 GABRA2 (0.47) MDM2SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL1437343 0.80 KDM4E (0.40) MDM2SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL9894266 0.79 KDM4E (0.37) MDM2SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL9893911 0.78 MDM2 (0.37) MDM2SMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL1437524 0.78 MDM2 (0.40) MDM2SMN1; SMN2ALDH1A1POLBOPRM1

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 MDM2 2/4885NOTUM 4675/4885SMN1; SMN2 886/4885

“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.