SCHEMBL9926531

SCHEMBL9926531

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 11/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
P2RX7 Q99572 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8233977 0.87 KDM4E (0.62) ANO1CA1CA2P2RX7KDM4E
SCHEMBL8651252 0.86 SHMT1 (0.55) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL8651766 0.84 P2RX7 (0.47) ANO1P2RX7KDM4EALDH1A1HTT
SCHEMBL9926464 0.83 P2RX7 (0.51) P2RX7KDM4EPOLBHDAC3HDAC1
SCHEMBL8655125 0.81 P2RX7 (0.44) ANO1P2RX7POLBHDAC3HDAC1
SCHEMBL8559264 0.81 ANO1 (0.43) ANO1P2RX7POLBHDAC3HDAC1
SCHEMBL9926535 0.80 P2RX7 (0.49) P2RX7ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8654003 0.79 P2RX7 (0.43) ANO1P2RX7KDM4EALDH1A1HTT
SCHEMBL9926646 0.79 P2RX7 (0.48) P2RX7HTTMAPTHDAC3HDAC1
SCHEMBL8558450 0.79 ANO1 (0.42) ANO1P2RX7KDM4EALDH1A1HTT

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 ANO1 4818/4885CA1 4201/4885CA2 4415/4885

“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.