SCHEMBL400376

SCHEMBL400376

O=C(Cl)CCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA4 P22748 5/20 0.40
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
ESR2 Q92731 3/20 0.38
TP53 P04637 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL401034 0.98 ALDH1A1 (0.43) ALDH1A1TSHRCA1CA2CA4
SCHEMBL5039623 0.94 ALDH1A1 (0.39) ALDH1A1TSHRCA1CA2CA4
SCHEMBL22958440 0.88 DGKA (0.41) ALDH1A1TSHRCA1CA2CA4
SCHEMBL6029546 0.86 ALDH1A1 (0.34) ALDH1A1TSHRCA1CA2CA4
SCHEMBL396155 0.83 CA12 (0.41) ALDH1A1CA1CA2CA4CA12
SCHEMBL400377 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTP53
SCHEMBL2009739 0.81 CA12 (0.44) ALDH1A1CA1CA2CA4CA12
SCHEMBL399991 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2CA4
SCHEMBL14894607 0.79 ALDH1A1 (0.52) ALDH1A1TSHR
Methane SCHEMBL2010264 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125379-A1 PRODRUG OF JAK KINASE INHIBITOR E NITIATE BIOPHARMACEUTICALS HANGZHOU CO LTD (CN) 2026-05-07 US disclosed
EP-4582425-A1 PRODRUG OF JAK KINASE INHIBITOR E-nitiate Biopharmaceuticals (Hangzhou) Co., Ltd (CN) 2025-07-09 EP disclosed
CN-102099330-B Nitric oxide donating prostamides NICOX SA 2014-04-30 CN disclosed
CN-103260424-A Use of nitrooxy organic molecules in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS BV 2013-08-21 CN disclosed
EP-2274279-B1 NITRIC OXIDE DONATING PROSTAMIDES NICOX SA (FR) 2013-07-31 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
CN-102099330-A Nitric oxide donating prostamides NICOX SA 2011-06-15 CN disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 EP disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 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-20260125379-A1 PRODRUG OF JAK KINASE INHIBITOR JAK1, JAK2, JAK3 ALDH1A1 1710/4885TSHR 519/4885CA1 2284/4885
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 ALDH1A1 936/4885TSHR 3475/4885CA1 4248/4885

“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.