SCHEMBL4854785

SCHEMBL4854785

COC(=O)c1sccc1-c1cnnc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 8/20 1.00
GABRB3 P28472 8/20 1.00
GABRA5 P31644 8/20 1.00
GABRA3 P34903 8/20 1.00
GABRA1 P14867 6/20 1.00
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCAT2 O15382 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6229196 0.81 GABRA1 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL27691396 0.75 GABRA1 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2656140 0.74 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL28208998 0.72 HSD17B10 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL23969685 0.70 GABRA1 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL20262093 0.68 PTGS1 (0.62) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8792437 0.68 ALDH1A1 (0.57) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL27392137 0.68 CYP4F2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL18115629 0.67 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL24611525 0.67 KDM4E (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US claimed
US-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-07-06 US claimed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP claimed
WO-2004014891-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO claimed
US-7381725-B2 Pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2008-06-03 US disclosed
US-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-07-06 US disclosed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014891-A1 PYRIDAZINE 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-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA2 GABRG2 15/4885GABRB3 6/4885GABRA5 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.