SCHEMBL4059144

SCHEMBL4059144

CN(Cc1ccc(Cl)[n+]([O-])c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
RAB9A P51151 1/20 0.35
CHKA P35790 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10054994 0.75 CRHBP (0.67) CRHBPCRHR2CA12CA2CA9
SCHEMBL9807149 0.74 CRHBP (0.57) CRHBPCRHR2PTGDR2HDAC3HDAC1
SCHEMBL156840 0.72 CRHBP (0.59) CRHBPCRHR2HDAC3HDAC1HDAC2
SCHEMBL642317 0.71 CRHBP (0.61) CRHBPCRHR2CA12CA9HDAC3
SCHEMBL12679022 0.70 TAAR1 (0.63) CRHBPCRHR2PTGDR2HDAC3HDAC1
Hydrochloric Acid SCHEMBL27388371 0.69 CRHBP (0.59) CRHBPCRHR2HDAC3HDAC1HDAC2
SCHEMBL11001060 0.69 CRHBP (0.59) CRHBPCRHR2CA12CA9HDAC3
SCHEMBL1365290 0.68 CRHBP (0.50) CRHBPCRHR2NR1H2NR1H3CHKA
Nitrogen SCHEMBL4600396 0.68 CRHBP (0.58) CRHBPCRHR2CA12CA9HDAC3
SCHEMBL7982978 0.68 ALDH1A1 (0.48) CRHBPCRHR2TAAR1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN claimed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 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 (2 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 CRHBP 3128/4885CRHR2 3190/4885PTGDR2 617/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 CRHBP 3148/4885CRHR2 2469/4885PTGDR2 520/4885

“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.