SCHEMBL22302602

SCHEMBL22302602

O=Cc1cc(I)ccc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 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
SCHEMBL1004343 0.78 AKR1C3 (0.57) GAAKDM4EMEN1USP2KMT2A
SCHEMBL28579201 0.78 MAPT (0.49) ERN1MEN1KMT2AMAPK1TDP1
SCHEMBL20757754 0.77 AKR1C3 (0.62) GAAKDM4EMEN1USP2KMT2A
SCHEMBL11351832 0.77 GAA (0.68) GAAKDM4EMEN1USP2KMT2A
SCHEMBL20048660 0.76 AKR1C3 (0.46) GAAKDM4EMEN1USP2KMT2A
SCHEMBL28060346 0.76 SRD5A2 (0.51) GAAKDM4EMEN1USP2KMT2A
SCHEMBL935979 0.75 AKR1C3 (0.48) GAAKDM4EMEN1USP2KMT2A
SCHEMBL1877051 0.74 MAPT (0.64) GAAKDM4EMEN1USP2KMT2A
SCHEMBL11641722 0.74 GAA (0.53) GAAKDM4EMEN1USP2KMT2A
SCHEMBL29980197 0.74 MAPT (0.64) GAAKDM4EMEN1USP2KMT2A

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-20200247789-A2 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY ASTEX THERAPEUCTICS LIMITED (GB) 2020-08-06 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-20200247789-A2 ISOINDOLINONE INHIBITORS OF THE MDM2-P53 INTERACTION HAVING ANTICANCER ACTIVITY TP53, MDM2, TP53BP1 ERN1 3356/4885GAA 2315/4885KDM4E 3817/4885

“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.