SCHEMBL6155598

SCHEMBL6155598

O=C(NCCCc1ccccc1)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
MLYCD O95822 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
MMP8 P22894 1/20 0.58
EPHX2 P34913 1/20 0.58
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
EPHX1 P07099 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CNR1 P21554 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL3833319 0.89 MLYCD (0.62) POLBMLYCDNPC1RAB9AMMP8
SCHEMBL3135827 0.87 POLB (0.56) POLBMLYCDL3MBTL1NPC1RAB9A
SCHEMBL3135061 0.86 POLB (0.55) POLBMLYCDL3MBTL1NPC1RAB9A
SCHEMBL8699335 0.85 POLB (0.55) POLBMLYCDHPGDKMT2AKDM4E
SCHEMBL4459001 0.83 POLB (0.53) POLBMLYCDL3MBTL1NPC1RAB9A
SCHEMBL16935825 0.83 POLB (0.53) POLBMLYCDL3MBTL1NPC1RAB9A
SCHEMBL2549950 0.83 POLB (0.53) POLBMLYCDNPC1HPGDMMP8
SCHEMBL5071492 0.83 POLB (0.53) POLBMLYCDL3MBTL1KMT2ACYP2D6
SCHEMBL1710649 0.83 POLB (0.51) POLBMLYCDL3MBTL1NPC1RAB9A
SCHEMBL12356333 0.83 POLB (1.00) POLBL3MBTL1NPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 US disclosed
EP-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
US-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2016-01-28 US disclosed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO disclosed
US-8969565-B2 Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-19 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
WO-2003104266-A2 PEPTIDES AND PEPTIDOMIMETICS USEFUL FOR INHIBITING THE ACTIVITY OF PROSTAGLANDIN F2α RECEPTOR THERATECHNOLOGIES INC. (CA) 2003-12-18 WO disclosed
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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 (5 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-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 POLB 2808/4885MLYCD 2656/4885L3MBTL1 1155/4885
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 POLB 2808/4885MLYCD 2656/4885L3MBTL1 1155/4885
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 POLB 2808/4885MLYCD 2656/4885L3MBTL1 1155/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC POLB 814/4885MLYCD 3845/4885L3MBTL1 1445/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 POLB 972/4885MLYCD 2946/4885L3MBTL1 1632/4885

“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.