SCHEMBL1282017

SCHEMBL1282017

O=C(O)C1(O)CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PANK3 Q9H999 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 2/20 0.36
CHRM4 P08173 1/20 0.36
CXCR3 P49682 1/20 0.36
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TIPARP Q7Z3E1 1/20 0.33
PTPN11 Q06124 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1292282 0.83 PANK3 (0.40) POLBPANK3MEN1KMT2ACHRM4
SCHEMBL1282761 0.83 PANK3 (0.45) POLBPANK3MEN1KMT2ACHRM4
SCHEMBL1282674 0.82 CYP3A4 (0.44) PANK3MEN1KMT2ACXCR3CYP3A4
SCHEMBL15416130 0.81 MEN1 (0.55) MEN1KMT2ACYP3A4ALDH1A1CYP2C9
SCHEMBL1283028 0.79 POLB (0.40) POLBPANK3MEN1KMT2AHDAC6
SCHEMBL1292248 0.79 PANK3 (0.40) POLBPANK3MEN1KMT2ACHRM4
SCHEMBL1292748 0.79 RIPK1 (0.40) POLBPANK3MEN1KMT2AHDAC6
SCHEMBL1282712 0.79 CYP3A4 (0.44) POLBPANK3MEN1KMT2ACHRM4
SCHEMBL1282645 0.79 OPRM1 (0.39) PANK3HSD17B10KDM4E
SCHEMBL1282234 0.78 MLYCD (0.50) MEN1KMT2AHDAC6CYP2C19CYP1A2

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-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

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 POLB 815/4885PANK3 2618/4885MEN1 3233/4885

“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.