SCHEMBL1282234

SCHEMBL1282234

O=C(O)C1(c2ccccc2)CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.50
AKR1C1 Q04828 1/20 0.49
KMT2A Q03164 4/20 0.48
TET3 O43151 1/20 0.48
FBXL19 Q6PCT2 1/20 0.48
CXXC5 Q7LFL8 1/20 0.48
TET1 Q8NFU7 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
CXXC4 Q9H2H0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
CYP2C19 P33261 2/20 0.43
OPRD1 P41143 3/20 0.43
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL1282800 0.89 MLYCD (0.52) MLYCDOPRD1HDAC6OPRM1OPRK1
SCHEMBL1292242 0.80 OPRD1 (0.46) MLYCDAKR1C1KMT2ATET3FBXL19
SCHEMBL1282017 0.78 POLB (0.41) KMT2ACYP2C19MEN1HDAC6CYP1A2
SCHEMBL3098740 0.77 KMT2A (0.48) MLYCDAKR1C1KMT2ATET3FBXL19
SCHEMBL1292282 0.77 PANK3 (0.40) KMT2AMEN1ADRA1A
SCHEMBL1282761 0.77 PANK3 (0.45) KMT2AMEN1KCNH2
SCHEMBL1684469 0.76 MLYCD (0.52) MLYCDOPRD1HDAC6OPRM1OPRK1
SCHEMBL1282935 0.75 MLYCD (0.49) MLYCDOPRD1OPRM1
SCHEMBL3106908 0.75 KDM4E (0.53) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL3422626 0.74 MLYCD (0.53) MLYCDKMT2ACYP2C19OPRD1MEN1

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 8 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-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP 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
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS MLYCD 262/4885AKR1C1 3272/4885KMT2A 4333/4885

“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.