SCHEMBL13111118

SCHEMBL13111118

C[C@@H](OC(=O)N(CCN)[C@@H](C)c1cncc(Cl)c1)c1ccc(C(=O)Nc2ccccc2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 7/20 0.35
HPGD P15428 1/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC3 O15379 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL13110931 0.97 MEN1 (0.41) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL13110894 0.89 TP53 (0.52) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL8091754 0.89 TP53 (0.52) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL13111110 0.87 ALDH1A1 (0.45) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL8093744 0.87 ALDH1A1 (0.45) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL13110928 0.86 HDAC1 (0.43) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL13110919 0.86 HDAC1 (0.43) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL8087602 0.80 RAB9A (0.40) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL13111120 0.79 HDAC1 (0.46) NPC1RAB9AMAPTHDAC1HDAC2
SCHEMBL8097600 0.78 ALDH1A1 (0.39) MEN1KMT2AGAALMNAALDH1A1

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 2 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

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 MEN1 4584/4885KMT2A 65/4885TP53 1472/4885

“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.