SCHEMBL2819249

SCHEMBL2819249

N#Cc1ccc2c(c1)CSCC2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PRF1 P14222 2/20 0.40
▸ GRM5 P41594 2/20 0.38
▸ MAOA P21397 3/20 0.38
▸ MAOB P27338 3/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ PNMT P11086 1/20 0.38
▸ CASP3 P42574 1/20 0.35
▸ PGR P06401 2/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL29741348 0.77 GRM5 (0.62) HTR2AHTR2CHTR2BGRM5MAOA
Bromide SCHEMBL8345546 0.77 PNMT (0.44) HTR2AHTR2CHTR2BGRM5MAOA
SCHEMBL1031985 0.77 GRM5 (0.62) HTR2AHTR2CHTR2BGRM5MAOA
SCHEMBL1091324 0.74 GRM5 (0.64) HTR2AHTR2CHTR2BGRM5MAOA
SCHEMBL29649348 0.74 GRM5 (0.64) HTR2AHTR2CHTR2BGRM5MAOA
SCHEMBL5113686 0.73 SRD5A1 (0.38) MAOAMAOBCA1CA2
SCHEMBL5106774 0.73 METAP1 (0.44) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL2818053 0.73 TDP2 (0.43) MAOAMAOBPNMTCASP3
SCHEMBL12063336 0.71 MIF (0.52) HTR2AHTR2CHTR2BGRM5MAOA
SCHEMBL28439114 0.71 MAOA (0.50) HTR2AHTR2CHTR2BMAOAMAOB

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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 — — EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 — — EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 HTR2A 3245/4885HTR2C 3034/4885HTR2B 1115/4885

“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.

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