SCHEMBL5523744

SCHEMBL5523744

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.64
CHRNA4 P43681 1/20 0.64
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAOB P27338 1/20 0.49
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 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
SCHEMBL29832812 1.00 CHRNB2 (0.64) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL5518334 0.95 CHRNB2 (0.62) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL31087898 0.95 CHRNB2 (0.62) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL31087900 0.94 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL31087905 0.94 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL8955653 0.94 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL77341 0.92 CHRNB2 (0.66) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL14028449 0.88 CHRNB2 (0.69) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL15498199 0.88 CHRNB2 (0.73) CHRNB2CHRNA4LMNAHPGDMEN1
SCHEMBL9561277 0.86 CHRNB2 (0.59) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117503-B Novel pyrrole sulfonyl chemical entity, preparation method and application thereof 江苏柯菲平医药股份有限公司 2022-09-02 CN disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20070185135-A1 Drug-Polymer Conjugates PHARMAESSENTIA CORP. 2007-08-09 US disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (4 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 CHRNB2 4359/4885CHRNA4 4551/4885LMNA 2584/4885
US-20070185135-A1 Drug-Polymer Conjugates LNPEP, MSN, ANPEP CHRNB2 2507/4885CHRNA4 3558/4885LMNA 2588/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CHRNB2 335/4885CHRNA4 225/4885LMNA 885/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CHRNB2 440/4885CHRNA4 477/4885LMNA 1371/4885

“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.