SCHEMBL5629080

SCHEMBL5629080

COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GLA P06280 1/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL16049708 0.89 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL729587 0.87 CYP19A1 (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL22658048 0.86 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29408211 0.86 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL16960063 0.84 MAPT (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL570064 0.84 TDP1 (0.57) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9234021 0.84 ALDH1A1 (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7563126 0.84 CYP19A1 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL6564760 0.82 MAPT (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL6567723 0.82 MEN1 (0.52) MAPTMEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138969-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-05-21 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 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 (2 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-20260138969-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF CASP1, CASP3, BAD MAPT 361/4885MEN1 2749/4885KMT2A 3468/4885
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR MAPT 4609/4885MEN1 1556/4885KMT2A 2989/4885

“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.