SCHEMBL9926535

SCHEMBL9926535

Cc1cc(Cl)ccc1CC(=O)NCC(C)(C)CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.49
KMT2A Q03164 2/20 0.49
CNR1 P21554 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ERCC1 P07992 4/20 0.40
ERCC4 Q92889 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL9926531 0.80 ANO1 (0.51) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL9926646 0.77 P2RX7 (0.48) P2RX7KMT2AHDAC3HDAC1HDAC2
SCHEMBL9926578 0.76 P2RX7 (0.41) P2RX7KMT2A
SCHEMBL9926464 0.76 P2RX7 (0.51) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL8651252 0.76 SHMT1 (0.55) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL9926520 0.75 MEN1 (0.55) P2RX7KMT2AERCC1ERCC4NPC1
SCHEMBL8651766 0.74 P2RX7 (0.47) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL8651253 0.74 P2RX7 (0.50) P2RX7KMT2AHDAC3HDAC1HDAC2
SCHEMBL9926585 0.74 P2RX7 (0.50) P2RX7KMT2AALDH1A1
SCHEMBL9926533 0.73 SMN1; SMN2 (0.66) P2RX7KMT2ANPC1RAB9AMEN1

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 1512/4885CNR1 2104/4885

“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.