SCHEMBL4073243

SCHEMBL4073243

COCCOCc1ccc(-c2cc3ccccc3n2S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
PTGS2 P35354 1/20 0.43
NR4A2 P43354 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AGTR1 P30556 1/20 0.38
PDE4B Q07343 1/20 0.37
NR1H2 P55055 9/20 0.37
GHSR Q92847 2/20 0.37
NR1H3 Q13133 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACLY P53396 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
SCHEMBL4073246 0.81 HRH3 (0.51) HRH3PTGS2CA12CA2CA9
SCHEMBL4065720 0.77 HRH3 (0.53) HRH3PTGS2CA12CA2CA9
SCHEMBL28111302 0.77 KMT2A (0.56) HRH3PTGS2CA12CA2CA9
SCHEMBL6295109 0.75 HRH3 (0.58) HRH3PTGS2CA12CA2CA9
SCHEMBL4073241 0.71 HRH3 (0.48) HRH3PTGS2CA12CA2CA9
SCHEMBL6295031 0.71 HRH3 (0.64) HRH3NR1H2
SCHEMBL4063701 0.68 HRH3 (0.68) HRH3NR1H2
SCHEMBL4058799 0.68 HRH3 (0.85) HRH3
SCHEMBL4061699 0.68 HRH3 (1.00) HRH3
SCHEMBL29185292 0.68 NR4A2 (0.42) NR4A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC HRH3 1173/4885PTGS2 939/4885NR4A2 1621/4885

“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.