SCHEMBL16633283

SCHEMBL16633283

OB(c1ccnc2ccccc12)c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ADRB2 P07550 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL482068 0.88 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL16633605 0.86 MAPT (0.52) NCF1MAPTKDM4EMEN1ALDH1A1
SCHEMBL29277674 0.80 NCF1 (0.43) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL20346 0.73 MAPT (0.52) NCF1MAPTKDM4EMEN1ALDH1A1
SCHEMBL29956251 0.73 MAPT (0.52) NCF1MAPTKDM4EMEN1ALDH1A1
SCHEMBL128549 0.71 NCF1 (0.56) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL1564450 0.71 NCF1 (0.46) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL22534519 0.71 MAPT (0.48) NCF1MAPTKDM4EMEN1ALDH1A1
SCHEMBL1227713 0.70 CYP1A2 (0.60) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL29699887 0.70 CYP1A2 (0.60) NCF1LOXL2HTR1AADRA1DADRA1A

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 NCF1 3844/4885LOXL2 3350/4885HTR1A 166/4885

“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.