SCHEMBL2653684

SCHEMBL2653684

C=CCOc1cc(-c2cccc(Br)c2)cnn1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.69
GABRB3 P28472 12/20 0.69
GABRA5 P31644 12/20 0.69
GABRA3 P34903 12/20 0.69
GABRA1 P14867 7/20 0.69
BIRC5 O15392 1/20 0.40
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2652581 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2651476 0.73 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL472525 0.71 MAOB (0.55) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL31573499 0.71 MAOB (0.55) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL2654109 0.68 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
Formaldehyde SCHEMBL27685853 0.68 MAOB (0.51) HTTALDH1A1NPC1RAB9A
SCHEMBL2653507 0.67 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22085949 0.67 MEN1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2654034 0.66 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL28822488 0.65 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1

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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US claimed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP claimed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO claimed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US disclosed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 GABRG2 20/4885GABRB3 8/4885GABRA5 1/4885

“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.