SCHEMBL6369397

SCHEMBL6369397

Oc1ccc(Br)cc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
TSHR P16473 2/20 0.50
GFER P55789 1/20 0.50
HPGD P15428 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 2/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CASP1 P29466 3/20 0.43
CES2 O00748 1/20 0.43
GALR3 O60755 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42

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
SCHEMBL14076005 0.82 ALOX15 (0.44) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL68224 0.81 ALOX15 (0.54) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL25335 0.79 ALOX15 (0.52) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL7976544 0.79 ALOX15 (0.52) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL29870381 0.79 ALOX15 (0.52) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL1561687 0.78 CYP2A6 (0.35) ALOX15TSHRGFERALDH1A1CYP1A2
SCHEMBL2743858 0.77 ALOX15 (0.50) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL11453783 0.77 ALOX15 (0.50) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL82273 0.77 ALDH1A1 (0.54) ALOX15TSHRGFERHPGDALDH1A1
SCHEMBL14496519 0.77 ALOX15 (0.50) ALOX15TSHRGFERHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-RE44354-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-09 US disclosed
US-RE44354-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-09 US disclosed
US-RE44338-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-02 US disclosed
US-RE44338-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-02 US disclosed
US-7449463-B2 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-11-11 US disclosed
US-7449463-B2 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-11-11 US disclosed
US-7425318-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-09-16 US disclosed
US-7425318-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-09-16 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent JANSSEN SCIENCES IRELAND UC (IE) 2007-02-22 US disclosed
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent JANSSEN SCIENCES IRELAND UC (IE) 2007-02-22 US disclosed
WO-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
US-20050101540-A1 STAT modulators AMGEN INC. (US) 2005-05-12 US disclosed
US-6884782-B2 STAT modulators AMGEN INC. (US) 2005-04-26 US disclosed
US-20020151504-A1 STAT modulators TULARIK INC. 2002-10-17 US disclosed
WO-2002038107-A2 STAT MODULATORS TULARIK INC. (US) 2002-05-16 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 (4 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-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP ALOX15 1916/4885TSHR 4786/4885GFER 2231/4885
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3 ALOX15 4174/4885TSHR 1322/4885GFER 2711/4885
US-20020151504-A1 STAT modulators STAT6, STAT4, STAT3 ALOX15 2100/4885TSHR 926/4885GFER 4336/4885
US-20050101540-A1 STAT modulators STAT6, STAT4, STAT3 ALOX15 2100/4885TSHR 926/4885GFER 4336/4885

“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.