SCHEMBL3373097

SCHEMBL3373097

COC(=O)c1cc(B(O)O)cnc1OCCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.47
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.43
AHR P35869 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 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
SCHEMBL3448094 0.84 KDM4E (0.50) TBXAS1ALDH1A1KDM4EAHRNPSR1
SCHEMBL3350903 0.79 ABL1 (0.37) ALDH1A1KDM4E
SCHEMBL3373117 0.78 TBXAS1 (0.42) TBXAS1ALDH1A1KDM4EAHRNPSR1
SCHEMBL3451734 0.77 TBXAS1 (0.46) TBXAS1ALDH1A1KDM4EAHRNPSR1
SCHEMBL3344574 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2A
SCHEMBL3376837 0.71 KDM4E (0.55) TBXAS1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8690701 0.69 TBXAS1 (0.75) TBXAS1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1369624 0.68 KDM4E (0.67) TBXAS1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL10857097 0.68 KMT2A (0.51) TBXAS1ALDH1A1KDM4EKMT2ALMNA
SCHEMBL7055150 0.68 FNTA (0.69) TBXAS1ALDH1A1KDM4EKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD TBXAS1 736/4885ALDH1A1 530/4885KDM4E 3882/4885

“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.