SCHEMBL8401760

SCHEMBL8401760

O=C(c1ccccc1)c1ccc(OBO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.58
ALDH1A1 P00352 1/20 0.56
SRD5A2 P31213 2/20 0.54
STS P08842 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.49
PPARA Q07869 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL2628977 0.81 CA1 (0.56) ALDH1A1SRD5A2TDP1KMT2ALMNA
SCHEMBL19214442 0.79 CA1 (0.42) ELANESRD5A2STSMEN1KMT2A
SCHEMBL124917 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL28949003 0.79 ELANE (0.67) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL9809047 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL28938440 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL9419497 0.79 SRD5A2 (0.80) ELANEALDH1A1SRD5A2STSGAA
SCHEMBL103797 0.78
SCHEMBL9066312 0.78 ALDH1A1 (0.93) ELANEALDH1A1SRD5A2ATMTDP1
SCHEMBL314267 0.78 ALDH1A1 (0.93) ELANEALDH1A1SRD5A2ATMTDP1

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
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 ELANE 3645/4885ALDH1A1 2841/4885SRD5A2 2736/4885

“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.