SCHEMBL8091247

SCHEMBL8091247

CC[C@H](OC(=O)N[C@@H](C)c1cccnc1)c1ccc(C(=O)Nc2ccccc2S)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 5/20 0.42
MDM4 O15151 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MDM2 Q00987 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL13110871 0.96 ALDH1A1 (0.45) ALDH1A1GAAKMT2ATP53MDM4
SCHEMBL13111004 0.91 ALDH1A1 (0.50) ALDH1A1GAAKMT2ATP53NPC1
SCHEMBL13111074 0.90 TP53 (0.43) ALDH1A1GAAKMT2ATP53MDM4
SCHEMBL13110971 0.90 HDAC1 (0.50) NAMPT
SCHEMBL13111072 0.89 ALDH1A1 (0.46) ALDH1A1GAAKMT2ATP53MDM4
SCHEMBL13110821 0.87 ALDH1A1 (0.50) ALDH1A1GAAKMT2ATP53NPC1
SCHEMBL8091140 0.87 ALDH1A1 (0.48) ALDH1A1KMT2ATP53MDM4NPC1
SCHEMBL13111081 0.86 TP53 (0.40) ALDH1A1GAAKMT2ATP53MDM4
SCHEMBL13110769 0.86 HDAC1 (0.50) ALDH1A1KMT2ANAMPT
SCHEMBL13110870 0.85 TP53 (0.40) ALDH1A1GAAKMT2ATP53MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267779-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267779-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
WO-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 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 (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-20100267779-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 ALDH1A1 467/4885GAA 79/4885KMT2A 65/4885

“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.