SCHEMBL3736563

SCHEMBL3736563

O=C(O)NCC(CO)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
ATM Q13315 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
MDM2 Q00987 1/20 0.42
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CES1 P23141 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 3/20 0.40
CES2 O00748 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
SCHEMBL9350244 0.82 MAPT (0.53) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL29016421 0.76 KMT2A (0.50) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL6054597 0.76 MMP2 (0.53) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL27863805 0.76 MAPT (0.51) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL16466619 0.73 RAB9A (0.53) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL18658529 0.71 RAB9A (0.60) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL29897611 0.71 NPC1 (0.55) RAB9ANPC1KMT2AGAASMN1; SMN2
SCHEMBL3316473 0.70 MDM2 (0.44) RAB9ANPC1ATMMAPTMAPK1
SCHEMBL6280523 0.70 MTNR1A (0.51) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL4177126 0.70 MDM2 (0.44) RAB9ANPC1ATMMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829304-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2010-11-09 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 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-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 RAB9A 3445/4885NPC1 3004/4885ATM 340/4885

“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.