SCHEMBL4483384

SCHEMBL4483384

O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
STAT1 P42224 2/20 0.60
CTSK P43235 1/20 0.49
APP P05067 1/20 0.48
ADORA1 P30542 1/20 0.48
PMM2 O15305 1/20 0.47
MPI P34949 1/20 0.47
PHOSPHO1 Q8TCT1 1/20 0.47
NPY5R Q15761 1/20 0.47

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
SCHEMBL4063191 0.83 KMT2A (0.70) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL4057166 0.81 KMT2A (0.63) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL1698255 0.79 ALDH1A1 (0.68) POLBKMT2AMEN1MAPTMAPK1
SCHEMBL9184563 0.78 POLB (1.00) POLBKMT2AMAPK1NPY5R
SCHEMBL9229195 0.76 NPSR1 (1.00) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL518604 0.73 KMT2A (0.67) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL4504593 0.72 POLB (1.00) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL4018661 0.72 POLB (0.70) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL6319271 0.71 PKM (0.66) POLBKMT2AMAPTALDH1A1LMNA
SCHEMBL14518042 0.71 ALDH1A1 (0.59) POLBMAPK1ALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP claimed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO claimed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US disclosed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 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 (1 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 POLB 2936/4885KMT2A 1216/4885MEN1 4495/4885

“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.