SCHEMBL17789591

SCHEMBL17789591

O=C(COc1ccc2c(c1)CCB2O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 7/20 0.52
TSHR P16473 4/20 0.52
MAPT P10636 3/20 0.52
RECQL P46063 2/20 0.52
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL10172224 0.89 KDM4E (0.60) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL17793009 0.85 KDM4E (0.53) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL17933551 0.81 RAB9A (0.43) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL10172225 0.81 RAB9A (0.57) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL595069 0.74 KDM4E (0.58) KDM4EKMT2AMEN1ALDH1A1RECQL
SCHEMBL10213641 0.73 KCNH2 (0.42) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5052466 0.72 KDM4E (0.72) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL25039062 0.70 KDM4E (0.62) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL596065 0.69 KDM4E (0.72) KDM4EKMT2AALDH1A1HSD17B10TSHR
SCHEMBL9987671 0.69 KDM4E (0.75) KDM4EKMT2AALDH1A1HSD17B10TSHR

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-9566289-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-02 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-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885KMT2A 2353/4885MEN1 522/4885

“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.