SCHEMBL20486285

SCHEMBL20486285

O=C(O)CCO[N+](=O)[O-].Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 2/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL20377294 0.90 ESR2 (0.36) MEN1LMNABLMHBBKMT2A
SCHEMBL457977 0.83
SCHEMBL20377293 0.82 TSHR (0.33) ESR1
Methane SCHEMBL2013838 0.81 LMNA (0.46) MEN1LMNABLMHBBKMT2A
Ethane SCHEMBL2012063 0.79 LMNA (0.44) MEN1LMNABLMHBBKMT2A
SCHEMBL20486280 0.72 BCL9 (0.34) ESR2CA12CA1CA2CA4
SCHEMBL2232094 0.72 BLM (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL397067 0.72 BLM (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL457635 0.71 LMNA (0.44) MEN1LMNABLMHBBKMT2A
Adipic Acid SCHEMBL31124541 0.71 LMNA (0.55) MEN1LMNABLMKMT2AESR1

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
CN-108349911-B Nitric oxide releasing prodrug molecules 浙江华海药业股份有限公司 2022-05-13 CN disclosed
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-10-29 US disclosed
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2018-09-06 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-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines PTGIS, NOS1, NOS2 MEN1 3887/4885LMNA 2346/4885BLM 4276/4885
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE NOS1, NOS2, PTGIS MEN1 3406/4885LMNA 1662/4885BLM 3757/4885

“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.