SCHEMBL2903493

SCHEMBL2903493

COc1ccc(C(=O)N(C)c2cccnc2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 5/20 0.50
TRPV1 Q8NER1 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL12978266 0.89 ALDH1A1 (0.57) ALDH1A1TRPV1CYP1A2CYP2D6CYP2C19
SCHEMBL13095759 0.81 TRPV1 (0.47) HTTALDH1A1TRPV1CYP1A2MEN1
SCHEMBL12978300 0.81 ALDH1A1 (0.56) HTTALDH1A1TRPV1MEN1KMT2A
SCHEMBL12978032 0.81 TRPV1 (0.51) HTTALDH1A1TRPV1CYP1A2CYP2C19
SCHEMBL2900508 0.80 TRPV1 (0.45) ALDH1A1TRPV1CYP1A2CYP2D6HPGD
SCHEMBL12978307 0.80 MAPK1 (0.47) HTTALDH1A1TRPV1MEN1MAPK1
SCHEMBL12978035 0.80 GAA (0.54) ALDH1A1TRPV1CYP1A2CYP2C19MEN1
SCHEMBL12978302 0.79 MAPK1 (0.47) HTTALDH1A1TRPV1MEN1MAPK1
SCHEMBL12978336 0.79 TRPV1 (0.49) HTTALDH1A1TRPV1MEN1MAPK1
SCHEMBL12978342 0.78 KMT2A (0.50) HTTALDH1A1TRPV1MEN1MAPK1

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
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
WO-2010112177-A1 ACYLATED AMINOPYRIDINES AND AMINOPYRIDAZINES AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-10-07 WO disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885ALDH1A1 551/4885TRPV1 2769/4885

“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.