SCHEMBL4754189

SCHEMBL4754189

NC(=O)CCCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 1/20 0.48
HGFAC Q04756 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
SCHEMBL14028449 0.86 CHRNB2 (0.69) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL13214927 0.85 CHRNB2 (0.58) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL27870159 0.84 CHRNB2 (0.59) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL5149377 0.84 CHRNB2 (0.62) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL31087898 0.84 CHRNB2 (0.62) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL5518334 0.84 CHRNB2 (0.62) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL30023557 0.84 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL657597 0.84 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL15498199 0.83 CHRNB2 (0.73) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL28674578 0.83 CHRNB2 (0.58) CHRNB2CHRNA4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897764-B2 Thiourea derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-03-01 US disclosed
WO-2008154091-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-18 WO disclosed
US-20080306090-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-11 US 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-20080306090-A1 THIOUREA DERIVATIVES EIF2AK2, IFNAR1, TPMT CHRNB2 4538/4885CHRNA4 4301/4885MEN1 3430/4885

“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.