SCHEMBL9893901

SCHEMBL9893901

CCOC(=O)c1cn(-c2c(CC(=O)O)ccc(Cl)c2F)c(C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 14/20 0.39
GABRB2 P47870 14/20 0.39
MDM2 Q00987 4/20 0.38
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL1437508 0.89 MDM2 (0.38) MDM2KMT2A
SCHEMBL9893744 0.89 MDM2 (0.38) MDM2KMT2A
SCHEMBL6953512 0.88 MDM2 (0.39) MDM2ALDH1A1KMT2A
SCHEMBL1437305 0.86 GABRA2 (0.41) GABRA2GABRB2ALDH1A1NPSR1NPC1
SCHEMBL9893625 0.86 GABRA2 (0.41) GABRA2GABRB2ALDH1A1NPSR1NPC1
SCHEMBL9893997 0.82 GABRA2 (0.48) GABRA2GABRB2
SCHEMBL1437666 0.82 GABRA2 (0.39) GABRA2GABRB2MDM2ALDH1A1NPSR1
SCHEMBL1437265 0.81 MDM2 (0.42) MDM2ALDH1A1NPSR1KMT2A
SCHEMBL1437375 0.81 MDM2 (0.45) GABRA2GABRB2MDM2
SCHEMBL1440217 0.76 MDM2 (0.56) GABRA2GABRB2MDM2

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 GABRA2 4293/4885GABRB2 4278/4885MDM2 2/4885

“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.