SCHEMBL8240231

SCHEMBL8240231

CC(C)(C)C(=O)c1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 3/20 0.44
PABPC1 P11940 2/20 0.43
EIF4H Q15056 2/20 0.43
NCF1 P14598 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NSD2 O96028 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
RORA P35398 1/20 0.41
SSTR4 P31391 1/20 0.41
CYP1A2 P05177 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 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
SCHEMBL16886350 0.88 NSD2 (0.51) PABPC1EIF4HMEN1KMT2ANSD2
SCHEMBL27279918 0.83 MAPK1 (0.46) NR2E1NCF1NSD2PTPN1PTPN11
SCHEMBL827639 0.80 MEN1 (0.47) NR2E1NCF1MEN1KMT2ANSD2
SCHEMBL23193358 0.80 NCF1 (0.50) NCF1NSD2SLC22A12PTPN1PTPN11
SCHEMBL28176881 0.79 LMNA (0.45) NCF1MEN1KMT2ANSD2SLC22A12
SCHEMBL228713 0.78 KDM4E (0.56) NCF1MEN1KMT2ANSD2KDM4C
SCHEMBL29375172 0.78 KDM4E (0.56) NCF1MEN1KMT2ANSD2KDM4C
SCHEMBL23682724 0.77 KDM4E (0.49) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29381262 0.77 KDM4E (0.57) NCF1KMT2ANSD2PTPN1PTPN11
SCHEMBL227218 0.77 NCF1 (0.47) PABPC1EIF4HNCF1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO 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 (4 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 NR2E1 1266/4885PABPC1 199/4885EIF4H 1602/4885
US-20090203663-A1 CHEMICAL COMPOUNDS ITGB5, ITGB1, ITGA2B NR2E1 1738/4885PABPC1 1617/4885EIF4H 4464/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 NR2E1 3721/4885PABPC1 539/4885EIF4H 2978/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B NR2E1 3943/4885PABPC1 250/4885EIF4H 3567/4885

“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.