SCHEMBL4088964

SCHEMBL4088964

O=[N+]([O-])c1cc(-c2ncccn2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
DHFR P00374 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
VCAM1 P19320 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3031212 0.83 MAPT (0.63) MAPTDHFRSMN1; SMN2VCAM1ALDH1A1
SCHEMBL5992360 0.82 VCAM1 (0.60) MAPTDHFRVCAM1ALDH1A1MEN1
SCHEMBL27631548 0.80 ALDH1A1 (0.51) MAPTSMN1; SMN2VCAM1ALDH1A1MEN1
SCHEMBL1025712 0.80 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2461199 0.80 VCAM1 (0.58) MAPTDHFRVCAM1ALDH1A1MEN1
SCHEMBL10663504 0.78 MAPT (0.66) MAPTDHFRVCAM1ALDH1A1MEN1
SCHEMBL9566530 0.78 DHFR (0.60) MAPTDHFRVCAM1ALDH1A1MEN1
SCHEMBL1897629 0.77 CRHBP (0.58) MAPTDHFRVCAM1ALDH1A1MEN1
SCHEMBL11715625 0.77 DHFR (0.50) MAPTDHFRSMN1; SMN2VCAM1ALDH1A1
SCHEMBL28156927 0.77 AAK1 (0.52) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656164-A Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMA 2012-09-05 CN disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
CN-1146566-C 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof �ձ���ҩ��ʽ���� 2004-04-21 CN disclosed
CN-1094929-C Acetamide derivative, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-27 CN disclosed
CN-1284076-A 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof DAINIPPON PHARMACEUTICAL CO (JP) 2001-02-14 CN disclosed
CN-1186487-A Acetamide derivatives, process for producing the same, and medicinal composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1998-07-01 CN 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MAPT 1880/4885DHFR 4595/4885SMN1; SMN2 2437/4885

“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.