SCHEMBL17023392

SCHEMBL17023392

Cc1nn(C)c(-c2ncc(F)cc2F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
SLC34A1 Q06495 2/20 0.33
NMT1 P30419 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL3488435 0.76 PGR (0.45) L3MBTL1SMN1; SMN2SLC34A1NMT1KDM4E
SCHEMBL20659621 0.76 CYP2C9 (0.38) SLC34A1KDM4EMAPTHTTKMT2A
SCHEMBL3488557 0.75 OPRL1 (0.39) L3MBTL1SMN1; SMN2SLC34A1NMT1KDM4E
SCHEMBL3489083 0.71 SLC34A1 (0.45) SMN1; SMN2SLC34A1KDM4EGALR3MAPT
SCHEMBL25323692 0.71 HTR2A (0.34) L3MBTL1SMN1; SMN2NPC1RAB9AGABRG2
SCHEMBL3488391 0.71 GRM5 (0.42) L3MBTL1SMN1; SMN2SLC34A1NMT1KDM4E
SCHEMBL175149 0.70 MAPT (0.38) L3MBTL1SMN1; SMN2NMT1KDM4EGALR3
SCHEMBL3488733 0.70 KDM4C (0.38) L3MBTL1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL15624387 0.70 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3488421 0.69 MBNL1 (0.41) L3MBTL1SMN1; SMN2NMT1KDM4EGALR3

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-9802899-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-08-27 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-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS L3MBTL1 563/4885SMN1; SMN2 2235/4885SLC34A1 4633/4885

“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.