SCHEMBL7873589

SCHEMBL7873589

NCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.66
CHRNA4 P43681 2/20 0.66
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.52
LTA4H P09960 1/20 0.51
PTGS2 P35354 1/20 0.51
ALDH1A1 P00352 3/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48

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
Hydrochloric Acid SCHEMBL5405414 0.98 CHRNB2 (0.64) CHRNB2CHRNA4LMNAHPGDTSHR
SCHEMBL8901225 0.92 CHRNB2 (0.64) CHRNB2CHRNA4LMNAHPGDTSHR
Hydrochloric Acid SCHEMBL3037290 0.90 CHRNB2 (0.62) CHRNB2CHRNA4LMNAHPGDTSHR
SCHEMBL5149377 0.90 CHRNB2 (0.62) CHRNB2CHRNA4LMNAHPGDTSHR
Diethylamine SCHEMBL27884425 0.90 CHRNB2 (0.59) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL15498199 0.90 CHRNB2 (0.73) CHRNB2CHRNA4LMNAHPGDTSHR
SCHEMBL4343371 0.89 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDTSHR
SCHEMBL16943480 0.87 CHRNB2 (0.66) CHRNB2CHRNA4LMNAHPGDTSHR
SCHEMBL14028449 0.86 CHRNB2 (0.69) CHRNB2CHRNA4LMNAHPGDTSHR
SCHEMBL11307294 0.85 CHRNB2 (0.64) CHRNB2CHRNA4LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP claimed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 WO claimed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
EP-1067928-A4 METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2001-11-14 EP disclosed
EP-1067928-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-17 EP disclosed
WO-1999051228-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CHRNB2 4737/4885CHRNA4 4804/4885LMNA 2404/4885

“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.