SCHEMBL9894475

SCHEMBL9894475

COc1ccc(Cl)cc1-c1c(C#N)nc(-c2cccc(C)c2)n1-c1cc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
CTSA P10619 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 7/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 5/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NOD2 Q9HC29 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL9893819 0.91 MDM2 (0.50) MDM2CTSAMAPTTHRBALDH1A1
SCHEMBL9894425 0.91 MDM2 (0.43) MDM2CTSAMAPTTHRBALDH1A1
SCHEMBL9893843 0.86 MAPT (0.44) MDM2MAPTTHRBALDH1A1TSHR
SCHEMBL9894216 0.84 MDM2 (0.50) MDM2CTSATP53HPGDUSP2
SCHEMBL9893755 0.82 MDM2 (0.61) MDM2CTSAMAPTTHRBALDH1A1
SCHEMBL9893690 0.81 MDM2 (0.38) MDM2ALDH1A1TSHRTP53LMNA
SCHEMBL9893984 0.81 MDM2 (0.50) MDM2CTSAMAPTTHRBALDH1A1
SCHEMBL9894293 0.80 MDM2 (0.49) MDM2CTSAMAPTTHRBALDH1A1
SCHEMBL1438244 0.77 MDM2 (0.38) MDM2ALDH1A1TSHRTP53LMNA
SCHEMBL1437222 0.77 TP53 (0.38) MDM2TP53HPGDUSP2

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 MDM2 2/4885CTSA 1670/4885MAPT 582/4885

“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.