SCHEMBL3472636

SCHEMBL3472636

CC(OC(=O)NCc1ccc(C(=O)O)cc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
NAMPT P43490 3/20 0.47
HDAC1 Q13547 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNA5 P22460 4/20 0.47
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC1A2 P43004 1/20 0.44
FAAH O00519 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL3471941 0.82 HDAC1 (0.67) NAMPTHDAC1
SCHEMBL3471894 0.82 HDAC1 (0.67) NAMPTHDAC1
SCHEMBL3471896 0.82 HDAC1 (0.67) NAMPTHDAC1
SCHEMBL8094983 0.80 HDAC1 (0.55) NAMPTHDAC1
SCHEMBL13024315 0.80 FAAH (0.48) ADRB3KCNA5HPGDPOLBKMT2A
SCHEMBL4319816 0.79 GAA (0.58) NAMPTPOLBKMT2ALMNAHTT
SCHEMBL8089914 0.76 HDAC1 (0.49) NAMPTHDAC1L3MBTL1KCNA5
SCHEMBL2434821 0.76 HDAC1 (0.78) NAMPTHDAC1
SCHEMBL13024265 0.73 ALDH1A1 (0.44) HPGDPOLBKMT2ALMNAHTT
SCHEMBL2410964 0.73 HDAC1 (0.70) NAMPTHDAC1HTTSMN1; 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 4 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
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 ADRB1 4080/4885ADRB3 3855/4885NAMPT 282/4885

“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.