SCHEMBL516772

SCHEMBL516772

O/N=C/c1ccnc2c(Br)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
HSP90AA1 P07900 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
BRD4 O60885 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL516773 1.00 PLAU (0.42) PLAUKDM4EMEN1KMT2AHTT
SCHEMBL1036680 0.87 KDM4E (0.44) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL1036682 0.87 KDM4E (0.44) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL21625618 0.82 KDM4E (0.51) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL21625619 0.82 KDM4E (0.51) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL31684422 0.82 KDM4E (0.51) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL516559 0.78 CCR1 (0.63) PLAUKDM4EMEN1KMT2AHTT
SCHEMBL16643739 0.74 KMT2A (0.50) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL18980187 0.74 KMT2A (0.50) KDM4EMEN1KMT2AHTTHSP90AA1
SCHEMBL7749251 0.73 CCR1 (0.53) KDM4EMEN1KMT2AHTTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414353-A1 ISOXAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2012-02-08 EP disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 US disclosed
WO-2010112545-A1 ISOXAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2010-10-07 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-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 PLAU 4668/4885KDM4E 1400/4885MEN1 4628/4885

“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.