SCHEMBL1708419

SCHEMBL1708419

CCOC(=O)C1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
KMT2A Q03164 5/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 6/20 0.50
MAPK1 P28482 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 2/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
GAA P10253 1/20 0.48
LGMN Q99538 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
SCHEMBL3786436 0.86 KMT2A (0.55) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL20564967 0.86 PTPN11 (0.53) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL595764 0.86 PTPN11 (0.59) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL17390221 0.85 KMT2A (0.54) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL3666825 0.85 KDM4E (0.57) KMT2AALDH1A1MAPTKDM4EHPGD
SCHEMBL195417 0.85 KDM4E (0.60) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL16874457 0.84 PTPN11 (0.52) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL12412540 0.84 KMT2A (0.54) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL21679495 0.83 PTPN11 (0.53) PTPN11KMT2APOLBALDH1A1MAPT
SCHEMBL374689 0.83 USP30 (0.55) KMT2APOLBALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS PTPN11 4067/4885KMT2A 4333/4885POLB 815/4885

“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.