Sugi Predict

Sugi Predict / Compounds / SCHEMBL1358710

SCHEMBL1358710

SCHEMBL1358710

Nc1c(-c2ccccn2)cc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.51
▸ CYP11B1 P15538 3/20 0.45
▸ CYP11B2 P19099 3/20 0.45
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ GRM5 P41594 3/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL222287 0.83 CYP11B1 (0.55) CYP2A6CYP11B1CYP11B2NPC1RAB9A
SCHEMBL1359845 0.81 CYP2A6 (0.57) CYP2A6NPC1RAB9ATP53PKM
SCHEMBL1359189 0.78 CYP11B1 (0.51) CYP2A6CYP11B1CYP11B2RAB9AMAPT
SCHEMBL13813006 0.78 CTSB (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL13785066 0.75 CYP2A6 (0.64) CYP2A6CYP11B1CYP11B2NPC1RAB9A
SCHEMBL5036431 0.74 CHEK2 (0.50) CYP2A6CYP11B1CYP11B2RAB9A
SCHEMBL15365995 0.74 F12 (0.46) NPC1RAB9AMAPTL3MBTL1GRM5
SCHEMBL28913472 0.73 ALDH1A1 (0.49) CYP2A6NPC1RAB9AMAPTL3MBTL1
SCHEMBL2219704 0.72 CYP2A6 (0.47) CYP2A6CYP11B1CYP11B2NPC1MAPT
SCHEMBL3491216 0.72 MAPK1 (0.52) CYP2A6CYP11B1CYP11B2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404852-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-26 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-8193352-B2 2-(3-Ethyl-ureido)-6-pyridin-3-yl-3H-benzoimidazole-4-carboxylic acid methyl ester; for treating bacterial infections in mammals; useful in treating or lessening severity of urinary tract infections, pneumonia, prostatitis, skin and soft tissue infections, intra-abdominal infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US disclosed
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — US disclosed
US-8067606-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-8034832-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 — — US disclosed
US-20100063069-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-11 — — US disclosed
US-20090325955-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-12-31 — — US disclosed
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-12-31 — — US disclosed
US-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — US disclosed
EP-1789419-A1 GYRASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2007-05-30 — — EP 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 (10 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 CYP2A6 1239/4885CYP11B1 1058/4885CYP11B2 1251/4885
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof TOP1, TOP2A, NQO2 CYP2A6 315/4885CYP11B1 234/4885CYP11B2 371/4885
US-20040235886-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CYP2A6 1182/4885CYP11B1 1008/4885CYP11B2 1185/4885
US-20090325955-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, NQO2 CYP2A6 315/4885CYP11B1 234/4885CYP11B2 371/4885
US-20060025424-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CYP2A6 1239/4885CYP11B1 1058/4885CYP11B2 1251/4885
US-20050256136-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, NQO2 CYP2A6 315/4885CYP11B1 234/4885CYP11B2 371/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B CYP2A6 1182/4885CYP11B1 1008/4885CYP11B2 1185/4885
US-20050038247-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CYP2A6 1239/4885CYP11B1 1058/4885CYP11B2 1251/4885
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B CYP2A6 1239/4885CYP11B1 1058/4885CYP11B2 1251/4885
US-20100063069-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B CYP2A6 1239/4885CYP11B1 1058/4885CYP11B2 1251/4885

“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.