SCHEMBL4070878

SCHEMBL4070878

C#Cc1ccc(OCCCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PRSS1 P07477 1/20 0.35
▸ TMPRSS2 O15393 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ ST14 Q9Y5Y6 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
SCHEMBL2932782 0.91 HDAC8 (0.34) KCNA3L3MBTL1ALDH3A1MAPTTDP1
SCHEMBL38655982 0.86 KCNA3 (0.48) KCNA3L3MBTL1PRSS1TMPRSS2HRH3
SCHEMBL20969950 0.86 PRSS1 (0.41) KCNA3MAPTPRSS1HDAC8
SCHEMBL11093336 0.83 KCNA3 (0.52) KCNA3L3MBTL1PRSS1TMPRSS2LTA4H
SCHEMBL1007565 0.83 LTA4H (0.53) LTA4H
SCHEMBL25230809 0.81 ALDH1A1 (0.43) KCNA3L3MBTL1PRSS1TMPRSS2HRH3
SCHEMBL2601664 0.81 APP (0.42) L3MBTL1MAPT
SCHEMBL15977888 0.81 KCNA3 (0.38) KCNA3L3MBTL1PRSS1TMPRSS2LTA4H
SCHEMBL949228 0.79 NR5A1 (0.58) L3MBTL1MAPTLTA4H
SCHEMBL19342431 0.79 ALDH1A1 (0.42) KCNA3L3MBTL1TDP1PRSS1TMPRSS2

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 KCNA3 1807/4885L3MBTL1 3482/4885ALDH3A1 398/4885

“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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