SCHEMBL8091754

SCHEMBL8091754

C[C@@H](OC(=O)N(CCN)[C@@H](C)c1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
HDAC1 Q13547 5/20 0.39
LMNA P02545 2/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PHGDH O43175 1/20 0.38
UTS2R Q9UKP6 5/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNMA1 Q12791 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC2 Q92769 3/20 0.37
NCOR2 Q9Y618 3/20 0.37

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
SCHEMBL13110894 1.00 TP53 (0.52) TP53NPC1RAB9AKMT2AMEN1
SCHEMBL8087602 0.91 RAB9A (0.40) TP53NPC1RAB9AKMT2AMEN1
SCHEMBL13111118 0.89 MEN1 (0.41) TP53NPC1RAB9AKMT2AMEN1
SCHEMBL13110931 0.89 MEN1 (0.41) TP53NPC1RAB9AKMT2AMEN1
SCHEMBL13111110 0.86 ALDH1A1 (0.45) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL8093744 0.86 ALDH1A1 (0.45) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL13110919 0.86 HDAC1 (0.43) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL13110928 0.86 HDAC1 (0.43) NPC1RAB9AKMT2AHDAC1MAPT
SCHEMBL8097600 0.77 ALDH1A1 (0.39) KMT2AMEN1HDAC1LMNAMAPT
SCHEMBL13111017 0.76 KMT2A (0.61) TP53NPC1RAB9AKMT2AMEN1

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 TP53 1472/4885NPC1 1063/4885RAB9A 2799/4885

“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.