SCHEMBL1702435

SCHEMBL1702435

O=[N+]([O-])c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 1.00
HSP90AA1 P07900 1/20 1.00
RCE1 Q9Y256 8/20 0.92
TP53 P04637 4/20 0.92
CYP2C9 P11712 4/20 0.92
CYP2C19 P33261 4/20 0.92
HIF1A Q16665 4/20 0.92
ALDH1A1 P00352 3/20 0.92
SMN1; SMN2 Q16637 1/20 0.92
CYP3A4 P08684 2/20 0.72
HSD17B10 Q99714 2/20 0.72
CYP1A2 P05177 1/20 0.72
HPGD P15428 1/20 0.72
ALOX15 P16050 1/20 0.71
JMJD7 P0C870 1/20 0.62
CYP2D6 P10635 1/20 0.62
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
SLC2A1 P11166 1/20 0.60

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
SCHEMBL14955655 0.91 RCE1 (0.83) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL14955656 0.91 RCE1 (0.83) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL14961225 0.88 RCE1 (0.79) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL11955293 0.86 P4HB (1.00) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL12905275 0.85 P4HB (0.74) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL12064843 0.84 RCE1 (0.72) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL23359134 0.84 RCE1 (1.00) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL31741895 0.84 RCE1 (1.00) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL31741894 0.84 RCE1 (1.00) P4HBHSP90AA1RCE1TP53CYP2C9
SCHEMBL29962903 0.84 RCE1 (1.00) P4HBHSP90AA1RCE1TP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566849-B1 8-HYDROXY-QUINOLINE DERIVATIVES AVIDIN KUTATO FEJLESZTOE ES KERESKEDELMI KORLATOLT FELELOESSEGUE TARSASAG (HU) 2019-09-18 EP disclosed
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AR (US) 2019-08-22 US disclosed
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-28 US disclosed
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9238641-B2 2016-01-19 US disclosed
US-9238641-B2 2016-01-19 US disclosed
CN-102985407-B 8-hydroxy-quinoline derivatives "AVIDIN" KUTATO, FEJLESZTO ES KERESKEDELMI KORLATOLT FELELOSSEGU TARSASAG (HU) 2015-09-09 CN disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES UBICHEM KUTATO KORLATOLT FELELOSSEGU TARSASAG (HU) 2013-05-23 US disclosed
EP-2566849-A1 8-HYDROXY-QUINOLINE DERIVATIVES "Avidin" Kutató, Fejleszt És Kereskedelmi Korlatolt Felelossegu Tarsasag (HU) 2013-03-13 EP disclosed
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2012-06-21 US disclosed
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2012-06-21 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
WO-2011148208-A1 8-HYDROXY-QUINOLINE DERIVATIVES "AVIDIN" KUTATÓ, FEJLESZTŐ ÉS KERESKEDELMI KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-12-01 WO disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
WO-2009151972-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS , THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2009-12-17 WO 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 (6 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-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 P4HB 4025/4885HSP90AA1 356/4885RCE1 1354/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 P4HB 2320/4885HSP90AA1 961/4885RCE1 504/4885
US-20130131096-A1 8-HYDROXY-QUINOLINE DERIVATIVES CYP2C8, NQO1, KEAP1 P4HB 1817/4885HSP90AA1 3406/4885RCE1 1086/4885
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins RAC2, BTN3A1, GDI1 P4HB 2999/4885HSP90AA1 2599/4885RCE1 314/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 P4HB 2999/4885HSP90AA1 2599/4885RCE1 314/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 P4HB 2999/4885HSP90AA1 2599/4885RCE1 314/4885

“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.