SCHEMBL2818053

SCHEMBL2818053

O=C1CSCc2cc(I)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.43
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ APP P05067 1/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ PRKCI P41743 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ CASP3 P42574 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
SCHEMBL5106774 0.77 METAP1 (0.44) MAOAMAOBCES1PRKCI
SCHEMBL5113686 0.77 SRD5A1 (0.38) TDP2MAOAMAOBCASP1CASP7
SCHEMBL8474486 0.77 METAP1 (0.44) MAOAMAOB
SCHEMBL26638890 0.75 TDP2 (0.58) TDP2MAOAMAOBAPPCASP1
SCHEMBL16082766 0.74 CASP1 (0.59) TDP2MAOAMAOBCASP1CASP7
SCHEMBL2819249 0.73 HTR2A (0.42) MAOAMAOBPNMTCASP3
SCHEMBL972858 0.73 METAP1 (0.50) MAOBPDE3BPDE3A
SCHEMBL8162469 0.73 TDP2 (0.49) TDP2MAOAMAOB
SCHEMBL1984962 0.71 ACHE (0.54) TDP2MAOAMAOBCASP7CES1
SCHEMBL23273176 0.71 MAOA (0.59) TDP2MAOAMAOBCASP1CASP7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
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
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 TDP2 3540/4885MAOA 261/4885MAOB 98/4885

“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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