SCHEMBL2653543

SCHEMBL2653543

COc1ccc(-c2cc(-c3ccccc3)cnn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 9/20 0.71
GABRB3 P28472 9/20 0.71
GABRA5 P31644 9/20 0.71
GABRA3 P34903 9/20 0.71
GABRA1 P14867 7/20 0.71
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ACACA Q13085 1/20 0.50
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
MAOB P27338 1/20 0.48
AGTR1 P30556 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A3 P47895 1/20 0.48

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
SCHEMBL2654106 0.86 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL221868 0.84 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2655128 0.81 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4347032 0.80 ACACA (0.64) NPC1RAB9AACACAENPP3ENPP1
SCHEMBL28196806 0.80 ACACA (0.64) NPC1RAB9AACACAENPP3ENPP1
Formaldehyde SCHEMBL27875050 0.79 GABRG2 (0.88) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653420 0.78 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30661712 0.77 NPC1 (0.62) NPC1RAB9AACACAENPP3ENPP1
SCHEMBL29105359 0.77 NPC1 (0.62) NPC1RAB9AACACAENPP3ENPP1
SCHEMBL17283658 0.76 CA4 (0.68) NPC1RAB9AENPP3ENPP1MITF

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.