SCHEMBL9893870

SCHEMBL9893870

CCOC(=O)c1nc(CC2CC2)n(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GABRA2 P47869 3/20 0.45
GABRB2 P47870 3/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
TARBP2 Q15633 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9893774 0.82 KDM4E (0.47) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL9894160 0.81 GABRA2 (0.46) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL9894154 0.80 KDM4E (0.39) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL9894088 0.79 PDE4B (0.41) KDM4EALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL9893904 0.78 PDE4A (0.40) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL1437249 0.76 GABRA2 (0.64) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL5350855 0.75 CNR1 (0.56) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL6342156 0.73 CNR1 (0.49) KDM4ENPC1RAB9AGABRA2GABRB2
SCHEMBL1437506 0.71 ALDH1A1 (0.48) KDM4EGABRA2GABRB2KMT2AALDH1A1
SCHEMBL1437218 0.71 ALDH1A1 (0.48) GABRA2GABRB2KMT2AALDH1A1POLB

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 KDM4E 983/4885NPC1 3324/4885RAB9A 3018/4885

“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.