SCHEMBL9926646

SCHEMBL9926646

Cc1cc(Cl)ccc1CC(=O)NCCCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.48
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40

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
SCHEMBL9926532 0.82 HTT (0.54) P2RX7KMT2AHPGDTP53HTT
SCHEMBL9926531 0.79 ANO1 (0.51) P2RX7MAPTHTTL3MBTL1HDAC3
SCHEMBL9926585 0.78 P2RX7 (0.50) P2RX7KMT2AHPGDHTTNPSR1
SCHEMBL9926535 0.77 P2RX7 (0.49) P2RX7KMT2AHDAC3HDAC1HDAC2
SCHEMBL9926586 0.75 HPGD (0.50) P2RX7KMT2AHPGDTP53MAPT
SCHEMBL9926464 0.75 P2RX7 (0.51) P2RX7TP53HDAC3HDAC1HDAC2
SCHEMBL8651252 0.75 SHMT1 (0.55) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL9926516 0.74 POLB (0.60) KMT2ANPSR1
SCHEMBL9926520 0.74 MEN1 (0.55) P2RX7KMT2AHPGDMAPTL3MBTL1
SCHEMBL9926514 0.73 CNR1 (0.54) P2RX7KMT2ATP53MAPTHDAC2

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 P2RX7 3259/4885KMT2A 1512/4885HPGD 2850/4885

“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.