SCHEMBL1870046

SCHEMBL1870046

O=C(CC1CC1)NCc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.44
EPHX2 P34913 3/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 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
SCHEMBL1873856 0.82 EPHX2 (0.59) P2RX7EPHX2
SCHEMBL1986824 0.81 EPHX2 (0.47) P2RX7EPHX2
SCHEMBL1987352 0.81 EPHX2 (0.43) P2RX7EPHX2KMT2ATRPV1HDAC6
SCHEMBL1873472 0.80 RAB9A (0.58) P2RX7EPHX2RAB9ANPC1KMT2A
SCHEMBL1884357 0.79 EPHX2 (0.47) P2RX7EPHX2HDAC6
SCHEMBL1994282 0.79 EPHX2 (0.44) P2RX7EPHX2KMT2A
SCHEMBL1988822 0.78 SETDB1 (0.49) P2RX7EPHX2
SCHEMBL1871892 0.78 EPHX2 (0.43) P2RX7EPHX2KMT2ATRPV1SMN1; SMN2
SCHEMBL1872511 0.77 P2RX7 (0.44) P2RX7EPHX2
SCHEMBL27890400 0.77 EPHX2 (0.40) P2RX7EPHX2KMT2ATRPV1HDAC6

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 P2RX7 156/4885EPHX2 1725/4885RAB9A 857/4885

“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.