SCHEMBL752391

SCHEMBL752391

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
RAB9A P51151 3/20 0.51
LMNA P02545 2/20 0.51
NAMPT P43490 1/20 0.49
NPC1 O15118 2/20 0.49
IDO1 P14902 1/20 0.48
SYK P43405 3/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
BRD4 O60885 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
DGAT1 O75907 1/20 0.45

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
SCHEMBL749691 0.93 HDAC1 (0.58) CA1CA2HDAC1HDAC3HDAC2
SCHEMBL4867801 0.85 NAMPT (0.58) CA1CA2RAB9ANAMPTNPC1
SCHEMBL25920561 0.84 NAMPT (0.59) CA1CA2HDAC1NAMPTIDO1
SCHEMBL1754810 0.84 POLB (0.58) RAB9ALMNANPC1IDO1HPGD
SCHEMBL751477 0.84 DGAT1 (0.47) CA1CA2HDAC1RAB9ALMNA
SCHEMBL8171226 0.82 RAB9A (0.68) HDAC2RAB9ANAMPTNPC1
SCHEMBL2212224 0.81 RAB9A (0.60) HDAC1HDAC2RAB9ALMNANAMPT
SCHEMBL10077138 0.81 EGFR (0.49) CA1CA2NAMPTCA12MALT1
SCHEMBL14590161 0.81 ALDH1A1 (0.50) RAB9ANAMPTHPGDMALT1DGAT1
SCHEMBL749687 0.81 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2RAB9A

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 CA1 4792/4885CA2 3649/4885HDAC1 371/4885

“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.