SCHEMBL4929232

SCHEMBL4929232

CC(C)(C)OC(=O)Cc1cc(Br)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.45
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP17A1 P05093 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL12521472 0.87 MAPK1 (0.48) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL8139434 0.86 AAK1 (0.46) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL4923072 0.84 AAK1 (0.45) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL15261588 0.84 AAK1 (0.50) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL4930587 0.82 AAK1 (0.48) AAK1HTTFPR2
SCHEMBL30175900 0.81 AAK1 (0.49) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL1519234 0.81 AAK1 (0.49) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL5754824 0.81 CNR2 (0.44) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL27773448 0.80 AAK1 (0.44) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL24498563 0.79 AAK1 (0.48) AAK1NPC1RAB9ARECQLSMN1; 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT AAK1 2079/4885MTNR1A 454/4885MTNR1B 252/4885

“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.