SCHEMBL1359386

SCHEMBL1359386

Nc1c(-c2ncccn2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GALR2 O43603 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MPI P34949 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CTSB P07858 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ERN1 O75460 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL13788446 0.83 MAPT (0.42) ALDH1A1MAPTNPSR1GALR2HPGD
SCHEMBL13813006 0.82 CTSB (0.47) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL6916314 0.81 S100A4 (0.46) ALDH1A1MAPTNPSR1GALR2HPGD
SCHEMBL14538405 0.79 HTT (0.42) ALDH1A1MAPTNPSR1GALR2HPGD
SCHEMBL14538438 0.79 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2CYP3A4S100A4
SCHEMBL2988193 0.78 S100A4 (0.46) ALDH1A1MAPTNPSR1GALR2HPGD
SCHEMBL221077 0.76 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1CYP3A4S100A4
SCHEMBL6916316 0.75 KMT2A (0.53) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL1359969 0.73 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1GALR2HPGD
SCHEMBL13708975 0.73 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1GALR2HPGD

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215081-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS Vertex Pharmaceuticals Incorporated (US) 2010-08-11 — — EP claimed
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-11 — — US claimed
WO-2009061875-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-14 — — WO claimed
US-8404852-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-26 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-8394803-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-12 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130030004-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2013-01-31 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
WO-2007056330-A1 BENZIMIDAZOLE DERIVATIVES AS GYRASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 — — WO disclosed
US-20060122196-A9 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 — — US disclosed
WO-2006022773-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-02 — — WO disclosed
US-20060025424-A1 Gyrase inhibitors and uses thereof CHARIFSON PAUL 2006-02-02 — — US disclosed
US-20050256136-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-11-17 — — US disclosed
EP-1592686-A1 GYRASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-11-09 — — EP disclosed
US-20050038247-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-02-17 — — US disclosed
WO-2005012292-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-10 — — WO disclosed
US-20040235886-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-25 — — 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 (8 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-20060122196-A9 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B ALDH1A1 3787/4885MAPT 3810/4885NPSR1 4869/4885
US-20130030004-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B ALDH1A1 3184/4885MAPT 3439/4885NPSR1 4829/4885
US-20040235886-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B ALDH1A1 3801/4885MAPT 3821/4885NPSR1 4868/4885
US-20060025424-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B ALDH1A1 3787/4885MAPT 3810/4885NPSR1 4869/4885
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS TOP2B, TOP1, TOP2A ALDH1A1 3384/4885MAPT 1817/4885NPSR1 4844/4885
US-20050256136-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, NQO2 ALDH1A1 1650/4885MAPT 4342/4885NPSR1 4774/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B ALDH1A1 3801/4885MAPT 3821/4885NPSR1 4868/4885
US-20050038247-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B ALDH1A1 3787/4885MAPT 3810/4885NPSR1 4869/4885

“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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