SCHEMBL4343371

SCHEMBL4343371

NCCCCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.61
CHRNA4 P43681 2/20 0.61
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.51
LTA4H P09960 1/20 0.48
PTGS2 P35354 1/20 0.48
TSHR P16473 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5149377 0.98 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL8901225 0.94 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL3037290 0.92 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL14028449 0.92 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL7873589 0.89 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL3977089 0.88 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL5405414 0.88 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL15498199 0.85 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL8955653 0.85 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL5973196 0.85 CHRNB2 (0.65) CHRNB2CHRNA4HPGDLMNAMAPT

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-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-7897764-B2 Thiourea derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-03-01 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 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 (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-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds CLN6, MSR1, TPMT CHRNB2 114/4885CHRNA4 270/4885HPGD 3406/4885
US-20080306090-A1 THIOUREA DERIVATIVES EIF2AK2, IFNAR1, TPMT CHRNB2 4538/4885CHRNA4 4301/4885HPGD 4260/4885

“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.