SCHEMBL3977089

SCHEMBL3977089

O=[N+]([O-])c1cccc(OCCCCCOc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.64
CHRNA4 P43681 1/20 0.64
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 1/20 0.58
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
LTA4H P09960 1/20 0.53
PTGS2 P35354 1/20 0.53
KCNA3 P22001 1/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL14028449 0.95 CHRNB2 (0.69) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL3976278 0.90 CHRNB2 (0.57) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL15498199 0.88 CHRNB2 (0.73) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL31087905 0.88 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL7468554 0.88 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL4343371 0.88 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL5973196 0.88 CHRNB2 (0.65) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL8955653 0.88 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL8778512 0.88 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL31087900 0.88 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 CHRNB2 4869/4885CHRNA4 4856/4885LMNA 4873/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 CHRNB2 4878/4885CHRNA4 4857/4885LMNA 4858/4885

“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.