SCHEMBL4923072

SCHEMBL4923072

CC(C)(C)OC(=O)Nc1ccc(Br)cc1CCO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 14/20 0.45
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.38
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 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
SCHEMBL8139434 0.89 AAK1 (0.46) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL12521472 0.87 MAPK1 (0.48) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4930587 0.87 AAK1 (0.48) AAK1
SCHEMBL5754824 0.86 CNR2 (0.44) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4929232 0.84 AAK1 (0.45) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL15261588 0.84 AAK1 (0.50) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL2987208 0.84 AAK1 (0.38) AAK1MAPK1KCNQ4KCNQ5
SCHEMBL14088041 0.83 AAK1 (0.41) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4931587 0.82 AAK1 (0.40) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1519234 0.81 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; 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 2079/4885NPC1 3649/4885RECQL 2992/4885

“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.