SCHEMBL1437481

SCHEMBL1437481

CCOC(=O)C1(O)CN(c2ccc(F)c(Cl)c2)C(c2ccccc2)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
MDM2 Q00987 3/20 0.40
KMT2A Q03164 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 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
RAB9A P51151 1/20 0.36
ADRA2A P08913 1/20 0.35
CCKAR P32238 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL1440045 0.88 GABRA2 (0.47) MDM2KMT2AGABRA2GABRB2MAPT
SCHEMBL23027868 0.84 GABRA2 (0.41) GABRA2GABRB2MAPTSMN1; SMN2NPC1
SCHEMBL9893993 0.81 MDM2 (0.43) MDM2GABRA2GABRB2MAPTSMN1; SMN2
SCHEMBL9894376 0.80 SMN1; SMN2 (0.41) KMT2AGABRA2GABRB2MAPTSMN1; SMN2
SCHEMBL9893922 0.80 MDM2 (0.44) MDM2KMT2AGABRA2GABRB2MAPT
SCHEMBL1438204 0.78 SMN1; SMN2 (0.42) KMT2AGABRA2GABRB2MAPTSMN1; SMN2
SCHEMBL5349522 0.78 CNR1 (0.39) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1437524 0.77 MDM2 (0.40) MDM2KMT2AGABRA2GABRB2MAPT
SCHEMBL1437656 0.76 ADORA3 (0.37) RXFP1GABRA2GABRB2MAPTSMN1; SMN2
SCHEMBL5359284 0.76 CNR1 (0.42) MAPTSMN1; SMN2NPC1RAB9APOLB

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 3 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
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 WO 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 RXFP1 2982/4885MDM2 2/4885KMT2A 1512/4885

“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.