Sugi Predict

Sugi Predict / Compounds / SCHEMBL1358972

SCHEMBL1358972

SCHEMBL1358972

CC(C)(C)C(=O)Nc1ccccc1-c1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.54
▸ LMNA P02545 3/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL28555585 0.84 CETP (0.51) CETPLMNATOP2AMEN1KMT2A
SCHEMBL2087952 0.84 CETP (0.67) CETPLMNATOP2AMEN1KMT2A
SCHEMBL1358756 0.80 TOP2A (0.44) CETPLMNATOP2AMAPTKDM4E
SCHEMBL13788443 0.80 TOP2A (0.44) CETPLMNATOP2AMEN1KMT2A
SCHEMBL5706504 0.80 CETP (0.71) CETPLMNAMEN1KMT2ATSHR
SCHEMBL1358968 0.79 KDM4E (0.48) CETPLMNATOP2AMEN1KMT2A
SCHEMBL20370082 0.78 CETP (0.51) CETPLMNATOP2AMEN1KMT2A
SCHEMBL14447514 0.77 TACR1 (0.64) CETPLMNATOP2AMEN1KMT2A
SCHEMBL16767087 0.77 CETP (0.59) CETPLMNATOP2AMEN1KMT2A
SCHEMBL15643544 0.77 CSNK1A1 (0.51) CETPLMNATOP2AMEN1KMT2A

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 78 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-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
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — 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
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 (7 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 CETP 1515/4885LMNA 2246/4885TOP2A 2/4885
US-20130030004-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CETP 1689/4885LMNA 2045/4885TOP2A 2/4885
US-20040235886-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CETP 1553/4885LMNA 2253/4885TOP2A 2/4885
US-20060025424-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CETP 1515/4885LMNA 2246/4885TOP2A 2/4885
US-20050256136-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, NQO2 CETP 1371/4885LMNA 1461/4885TOP2A 2/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B CETP 1553/4885LMNA 2253/4885TOP2A 2/4885
US-20050038247-A1 Gyrase inhibitors and uses thereof TOP1, TOP2A, TOP2B CETP 1515/4885LMNA 2246/4885TOP2A 2/4885

“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.