SCHEMBL16632907

SCHEMBL16632907

Cn1c(B(O)c2cc3ccccc3n2C)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
MCL1 Q07820 1/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
SLC9A1 P19634 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
TERT O14746 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL411586 0.88 DAO (0.50) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL29955182 0.88 DAO (0.50) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL17856938 0.80 DAO (0.50) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL6585311 0.78 DAO (0.41) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL16431996 0.74 DAO (0.39) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL1172147 0.73 DAO (0.47) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL5700705 0.73 DAO (0.47) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL3635550 0.72 DAO (0.60) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL30574135 0.72 DAO (0.64) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL29079027 0.72 DAO (0.64) DAOMCL1KMT2AMAPTALDH1A1

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 DAO 78/4885MCL1 3936/4885KMT2A 1937/4885

“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.