SCHEMBL2903047

SCHEMBL2903047

Cc1[c]cnn1-c1ccc(F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
OPRM1 P35372 4/20 0.33
OPRK1 P41145 3/20 0.33
OPRD1 P41143 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL2900034 0.84 NPC1 (0.44) OPRM1GLANPC1RAB9AL3MBTL1
SCHEMBL2902635 0.81 OPRM1 (0.44) HTTOPRM1OPRK1OPRD1GABRG2
SCHEMBL2900762 0.79 HCAR1 (0.41) OPRM1HCAR1
SCHEMBL2903061 0.77 HCAR1 (0.42) ALDH1A1OPRM1L3MBTL1HCAR1
SCHEMBL1906253 0.73 ALDH1A1 (0.40) ALDH1A1HTTNPC1RAB9AL3MBTL1
SCHEMBL1902421 0.71 FAAH (0.42) ALDH1A1MAPTHTTL3MBTL1
SCHEMBL2350243 0.70 KCNN4 (0.41) HCAR1
SCHEMBL2903297 0.69 ALDH1A1 (0.34) ALDH1A1MAPTHTTGAA
SCHEMBL1943296 0.69 ALDH1A1 (0.39) ALDH1A1MAPTHTTOPRM1OPRK1
SCHEMBL2897551 0.66 ALDH1A1 (0.42) ALDH1A1MAPTHTTOPRM1L3MBTL1

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US 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 ALDH1A1 551/4885MAPT 3480/4885HTT 2101/4885

“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.