SCHEMBL4058939

SCHEMBL4058939

CS(=O)(=O)n1c(-c2cccc(OCCCN3CCCCC3)c2)cc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.81
KDM4E B2RXH2 2/20 0.51
BACE1 P56817 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL4061699 0.90 HRH3 (1.00) HRH3HRH1
SCHEMBL4058799 0.82 HRH3 (0.85) HRH3ALDH1A1HRH1
SCHEMBL21462645 0.74 HRH3 (0.86) HRH3KDM4EBACE1L3MBTL1LTA4H
SCHEMBL4063701 0.73 HRH3 (0.68) HRH3
SCHEMBL28111302 0.71 KMT2A (0.56) HRH3KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL6294945 0.70 HRH3 (0.67) HRH3KDM4EALDH1A1
SCHEMBL14970452 0.70 HRH3 (0.89) HRH3HRH1
SCHEMBL491712 0.69 HRH3 (0.97) HRH3KDM4EBACE1LTA4H
SCHEMBL11983507 0.69 KDM4E (1.00) HRH3KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL5858684 0.68 HRH3 (0.95) HRH3KDM4EBACE1LTA4H

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 claimed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US claimed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US claimed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US 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 1173/4885KDM4E 542/4885BACE1 1822/4885

“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.