SCHEMBL81399

SCHEMBL81399

O=C(OCc1ccccc1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.55
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
VNN1 O95497 1/20 0.52
HPGD P15428 1/20 0.49
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RXRA P19793 1/20 0.46

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
SCHEMBL3830018 0.84 KMT2A (0.49) KMT2ARAB9AMAPTALDH1A1NPC1
SCHEMBL6693656 0.84 KMT2A (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL79430 0.84 RXRA (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20830734 0.82 TDP1 (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL19525796 0.82 TDP1 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3497492 0.80 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20830732 0.80 TDP1 (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20831009 0.80 TDP1 (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL15754802 0.80 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2543756 0.80 CA12 (0.53) KMT2ALMNAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
US-6824949-B2 SELF-CONDENSATION OF AN O-AMINOPHENOLCARBOXYLIC ACID AND REACTION WITH BIS-O-AMINOPHENOLS ALONG WITH DICARBOXYLIC ACID AND ACETYLENE COMPOUNDS; HIGH RESISTANCE AGAINST THE DIFFUSION OF METALS INFINEON TECHNOLOGIES AG (DE) 2004-11-30 US disclosed
US-6531632-B2 Reacting dihydroxy compound with halogenated o-nitrophenol INFINEON TECHNOLOGIES AG (DE) 2003-03-11 US disclosed
US-20020086968-A1 Polybenzoxazole precursors, photoresist solution, polybenzoxazole, and process for preparing a polybenzoxazole precursor POLARIS INNOVATIONS LIMITED (IE) 2002-07-04 US disclosed
US-20020010370-A1 Bis-o-aminophenols and o-aminophenolcarboxylic acids and process for preparing the same POLARIS INNOVATIONS LIMITED (IE) 2002-01-24 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 (4 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 KMT2A 1823/4885TDP1 3754/4885SLC6A2 21/4885
US-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E KMT2A 3082/4885TDP1 1792/4885SLC6A2 4210/4885
US-20020010370-A1 Bis-o-aminophenols and o-aminophenolcarboxylic acids and process for preparing the same FOS, POF1B, FOSB KMT2A 1691/4885TDP1 3855/4885SLC6A2 3424/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 KMT2A 1823/4885TDP1 3754/4885SLC6A2 21/4885

“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.