SCHEMBL4065720

SCHEMBL4065720

CS(=O)(=O)n1c(-c2ccc(O)cc2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ACLY P53396 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 3/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL28111302 0.87 KMT2A (0.56) HRH3CA12CA2CA9ACLY
SCHEMBL4073243 0.77 HRH3 (0.52) HRH3CA12CA2CA9ACLY
SCHEMBL4073246 0.76 HRH3 (0.51) HRH3CA12CA2CA9L3MBTL1
SCHEMBL20476723 0.76 KMT2A (0.73) L3MBTL1KMT2ABACE1ALDH1A1KDM4E
SCHEMBL6295109 0.75 HRH3 (0.58) HRH3CA12CA2CA9PTGS2
SCHEMBL11312995 0.75 L3MBTL1 (0.53) CA12CA9L3MBTL1PTGS2KMT2A
SCHEMBL6294945 0.73 HRH3 (0.67) HRH3CA12CA2CA9ALDH1A1
SCHEMBL4073241 0.73 HRH3 (0.48) HRH3CA12CA2CA9ACLY
SCHEMBL6295031 0.73 HRH3 (0.64) HRH3KMT2AMAPTNR1H2
SCHEMBL28111780 0.73 ACLY (0.56) HRH3CA12CA2CA9ACLY

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 1173/4885CA12 4094/4885CA2 3213/4885

“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.