SCHEMBL1148367

SCHEMBL1148367

O=S(=O)(NCCCCl)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ SIGMAR1 Q99720 4/20 0.57
▸ KMT2A Q03164 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ PKM P14618 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MMP1 P03956 2/20 0.49
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP13 P45452 2/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ CA1 P00915 1/20 0.48

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
SCHEMBL9780583 0.87 ALDH1A1 (0.67) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL9577239 0.85 SIGMAR1 (0.68) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL5435010 0.82 GAA (0.60) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL9876657 0.82 ALDH1A1 (0.70) GAAKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL8578107 0.82 GAA (0.69) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL15145874 0.82 GAA (0.60) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL2007611 0.81 GAA (0.59) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL21820680 0.81 ALDH1A1 (0.72) GAASIGMAR1KMT2AALDH1A1PKM
SCHEMBL18377408 0.79 SIGMAR1 (0.67) GAASIGMAR1KMT2ATDP1POLB
SCHEMBL24762016 0.79 GAA (0.57) GAASIGMAR1KMT2ATDP1POLB

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
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 — — US disclosed
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 — — EP disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 — — US disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 — — US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 — — 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 (3 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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 GAA 3089/4885SIGMAR1 1973/4885KMT2A 631/4885
US-20090270355-A1 Compounds CMA1, HRH4, CCL11 GAA 228/4885SIGMAR1 2719/4885KMT2A 1977/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 GAA 1039/4885SIGMAR1 431/4885KMT2A 803/4885

“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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