SCHEMBL16633605

SCHEMBL16633605

OB(c1cccc2ncccc12)c1cccc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.44
CYP3A4 P08684 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BLM P54132 1/20 0.41
P2RX7 Q99572 1/20 0.40
ERN1 O75460 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NSD2 O96028 1/20 0.40
NCF1 P14598 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL20346 0.88 MAPT (0.52) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL29956251 0.88 MAPT (0.52) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL16633283 0.86 NCF1 (0.50) MAPTKDM4EMEN1KMT2ACYP3A4
SCHEMBL22534519 0.85 MAPT (0.48) MAPTKDM4EMEN1KMT2APOLB
Boric Acid SCHEMBL21047561 0.74 MAPT (0.50) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL482068 0.73 NCF1 (0.50) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL13740419 0.73 NCOA1 (0.41) MAPTKDM4EMEN1KMT2ACYP3A4
SCHEMBL2907103 0.72 MAPT (0.58) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL113967 0.72 MAPT (0.58) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL1565552 0.72 MAPT (0.47) MAPTKDM4EMEN1KMT2APOLB

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
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B MAPT 3931/4885KDM4E 3520/4885MEN1 886/4885

“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.