SCHEMBL999633

SCHEMBL999633

O=C(O)c1ccc2cccnc2c1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
LMNA P02545 3/20 0.54
ALOX12 P18054 1/20 0.54
KDM4E B2RXH2 6/20 0.50
EGLN1 Q9GZT9 6/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TET2 Q6N021 2/20 0.50
TET1 Q8NFU7 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP2 P08253 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
NFKB1 P19838 1/20 0.50

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
Hydrochloric Acid SCHEMBL998382 0.98 ALDH1A1 (0.66) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL998381 0.85 ALDH1A1 (0.53) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL69869 0.81 ALDH1A1 (0.70) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL1759043 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL29906219 0.81 ALDH1A1 (0.70) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL16383149 0.81 ALDH1A1 (0.70) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL644794 0.79 ALDH1A1 (0.68) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL13516424 0.79 ALDH1A1 (0.68) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL9139640 0.79 ALDH1A1 (0.97) ALDH1A1LMNAALOX12KDM4EEGLN1
SCHEMBL111826 0.78 PARP1 (0.70) ALDH1A1LMNAALOX12KDM4EEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
CN-102548967-A Pesticidal carboxamides BAYER CROPSCIENCE AG 2012-07-04 CN disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC ALDH1A1 1266/4885LMNA 3905/4885ALOX12 2499/4885

“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.