SCHEMBL9926586

SCHEMBL9926586

Cc1cc(Cl)ccc1CC(=O)NCCNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
P2RX7 Q99572 6/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL9926520 0.81 MEN1 (0.55) HPGDP2RX7MEN1KMT2AALDH1A1
SCHEMBL9926585 0.77 P2RX7 (0.50) HPGDP2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL9926646 0.75 P2RX7 (0.48) HPGDP2RX7KMT2ATP53MAPT
SCHEMBL9926532 0.75 HTT (0.54) HPGDP2RX7MEN1KMT2AALDH1A1
SCHEMBL8651253 0.75 P2RX7 (0.50) HPGDP2RX7MEN1KMT2AALDH1A1
SCHEMBL9926464 0.74 P2RX7 (0.51) P2RX7TP53HDAC3HDAC1HDAC2
SCHEMBL9926519 0.73 POLB (0.58) HPGDP2RX7MEN1KMT2AALDH1A1
SCHEMBL3130070 0.73 P2RX7 (0.56) HPGDP2RX7MEN1KMT2AALDH1A1
SCHEMBL9926514 0.72 CNR1 (0.54) P2RX7KMT2ASMN1; SMN2TP53MAPT
SCHEMBL11437199 0.72 EPHX1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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 HPGD 2850/4885P2RX7 3259/4885MEN1 510/4885

“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.