SCHEMBL9893717

SCHEMBL9893717

CCOC(=O)c1nc(Cc2cccc(Cl)c2)n(-c2cc(Cl)ccc2C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
MDM2 Q00987 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP19A1 P11511 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
ELANE P08246 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9893771 0.87 MDM2 (0.58) MAPTMAPK1MDM2PDE3BPDE3A
SCHEMBL9894149 0.83 GABRA2 (0.42) MAPTMAPK1MDM2KMT2AMEN1
SCHEMBL1438312 0.83 CYP1A2 (0.56) MAPTMAPK1MDM2PDE3BPDE3A
SCHEMBL9893835 0.81 MDM2 (0.60) MAPTMDM2KMT2ACYP19A1MEN1
SCHEMBL1437191 0.80 MDM2 (0.62) MAPTMDM2CYP19A1ALDH1A1GABRA2
SCHEMBL9894131 0.79 MDM2 (0.46) MAPTMDM2CYP19A1LMNAALDH1A1
SCHEMBL1437622 0.79 GABRA2 (0.52) MAPTMDM2GABRA2GABRB2
SCHEMBL1437634 0.78 GABRA2 (0.56) MAPTMAPK1PDE3BPDE3AKMT2A
SCHEMBL9893880 0.78 MDM2 (0.48) MAPTMDM2CYP19A1LMNAGABRA2
SCHEMBL9893718 0.77 MDM2 (0.45) MAPTMDM2KMT2AMEN1LMNA

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 MAPT 582/4885MAPK1 2211/4885MDM2 2/4885

“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.