SCHEMBL1126830

SCHEMBL1126830

O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.57
GAA P10253 3/20 0.56
POLB P06746 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 9/20 0.55
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL14464189 0.84 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL1804893 0.80 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL20004086 0.80 POLB (0.59) LMNAPOLBKDM4EBCHEACHE
SCHEMBL1127229 0.79 KMT2A (0.66) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL22495425 0.79 KMT2A (0.74) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL3654709 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL6427075 0.78 GAA (0.65) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL4921368 0.78 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL7814507 0.78 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAGAAPOLB
SCHEMBL22495455 0.78 SLC6A9 (0.53) ALDH1A1KMT2ALMNAGAAPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO disclosed
EP-0918770-A1 PYRIDYL-PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIALS AstraZeneca AB (SE) 1999-06-02 EP disclosed
WO-1998001447-A1 PYRIDYL-PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ZENECA LIMITED (GB) 1998-01-15 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 (3 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ALDH1A1 614/4885KMT2A 3378/4885LMNA 1934/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KMT2A 3996/4885LMNA 3641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KMT2A 3996/4885LMNA 3641/4885

“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.