SCHEMBL1867206

SCHEMBL1867206

O=C(NCc1ccc(Br)cc1Cl)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.53
CYP2D6 P10635 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
P2RX7 Q99572 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30924102 0.83 ACKR3 (0.58) EPHX2P2RX7ALDH1A1
SCHEMBL18229245 0.82 P2RX7 (0.60) EPHX2PKMCYP2C19P2RX7ALDH1A1
SCHEMBL1859048 0.82 CYP2D6 (0.52) EPHX2CYP2D6PKMCYP2C19P2RX7
SCHEMBL1873472 0.80 RAB9A (0.58) EPHX2P2RX7KMT2AHTTALDH1A1
SCHEMBL1865276 0.80 CYP2D6 (0.50) EPHX2CYP2D6PKMCYP2C19P2RX7
SCHEMBL16899272 0.80 HTT (0.48) EPHX2KMT2AHTTTP53MAPT
SCHEMBL2467120 0.80 NPC1 (0.66) EPHX2PKMP2RX7MEN1KMT2A
SCHEMBL2677882 0.79 EPHX2 (0.59) EPHX2P2RX7GAAHTTCA12
SCHEMBL2677880 0.79 EPHX2 (0.59) EPHX2P2RX7GAAHTTCA12
SCHEMBL1873856 0.79 EPHX2 (0.59) EPHX2P2RX7

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-20110152332-A1 Pesticidal Heterocyclic Compounds BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011051455-A1 PESTICIDAL HETEROCYCLIC COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110152332-A1 Pesticidal Heterocyclic Compounds DDT, PTMS, CYP4X1 EPHX2 1725/4885CYP2D6 404/4885PKM 411/4885

“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.