SCHEMBL8091517

SCHEMBL8091517

CCOc1ccc([C@H](C)NC(=O)OCc2ccc(C(=O)Nc3ccccc3O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LMNA P02545 2/20 0.47
ACACB O00763 3/20 0.47

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
SCHEMBL13111051 0.90 RAB9A (0.52) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13110975 0.90 HDAC1 (0.57) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13111008 0.88 HDAC1 (0.50) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL13110823 0.88 HDAC1 (0.50) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL8084812 0.80 KDM4E (0.48) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL13110834 0.80 HDAC1 (0.51) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13110796 0.80 HDAC1 (0.50) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL13110862 0.78 MDM4 (0.49) KMT2AMEN1KDM4EALDH1A1HDAC3
SCHEMBL8077910 0.78 MDM4 (0.49) KMT2AMEN1KDM4EALDH1A1HDAC3
SCHEMBL13111003 0.78 HDAC1 (0.48) RAB9AKMT2ANPC1MEN1SMN1; SMN2

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 RAB9A 2799/4885KMT2A 65/4885NPC1 1063/4885

“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.