SCHEMBL5154658

SCHEMBL5154658

O=C(OC(Cc1c[nH]cn1)c1ccccc1)C(=O)OC(Cc1c[nH]cn1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.32
NR3C2 P08235 2/20 0.32
PTPRA P18433 1/20 0.32
GSR P00390 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
Oxalic Acid SCHEMBL5154647 0.77 KDM4E (0.38) CYP2D6KMT2APTPRA
SCHEMBL9727813 0.76 SLC6A4 (0.40) CYP19A1NR3C2
SCHEMBL3338293 0.76 ALDH1A1 (0.34) KMT2AESR1ESR2CRHBPCRHR2
SCHEMBL11336356 0.75 LMNA (0.41) CYP2D6
Hydrochloric Acid SCHEMBL3336817 0.75 ALDH1A1 (0.34) KMT2AESR1ESR2CRHBPCRHR2
SCHEMBL9067637 0.74 EPHX1 (0.52) CYP2D6NCOA3CRHBPCRHR2
SCHEMBL5155128 0.74
SCHEMBL30280698 0.72 GRIN2D (0.57)
SCHEMBL10551331 0.72 MAOA (0.44) NR3C2ESR1ESR2
SCHEMBL7433498 0.71 PTPRA (0.33) KMT2APTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472232-B1 PROCESSES FOR PREPARING IMIDAZOLE DERIVATIVES AND SALTS THEREOF YUHAN CORP (KR) 2007-01-24 EP disclosed
EP-1472232-A4 PROCESSES FOR PREPARING IMIDAZOLE DERIVATIVES AND SALTS THEREOF YUHAN CORP (KR) 2006-02-01 EP disclosed
EP-1472232-A1 PROCESSES FOR PREPARING IMIDAZOLE DERIVATIVES AND SALTS THEREOF Yuhan Corporation (KR) 2004-11-03 EP disclosed
US-6706888-B2 REACTING A 3-HALOTETRAHYDROFURAN OR TETRAHYDROPYRAN COMPOUND WITH FORMAMIDINE OR ITS SALT IN THE PRESENCE OF A BASE TO PRODUCE A 3-(1H-IMIDAZOL-4-YL)PROPANOL DERIVATIVE; EFFICIENCY; INTERMEDIATES; ANTICARCINOGENIC AGENTS; VIRICIDES; YUHAN CORPORATION (KR) 2004-03-16 US disclosed
US-20030153769-A1 Processes for preparing imidazole derivatives and salts thereof YUHAN CORPORATION 2003-08-14 US disclosed
WO-2003066600-A1 PROCESSES FOR PREPARING IMIDAZOLE DERIVATIVES AND SALTS THEREOF YUHAN CORPORATION (KR) 2003-08-14 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-20030153769-A1 Processes for preparing imidazole derivatives and salts thereof NISCH, INF2, SRI PABPC1 4200/4885APOBEC3A 1224/4885APOBEC3G 1293/4885

“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.