SCHEMBL8846809

SCHEMBL8846809

O=C(O)NCCO[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TTPA P49638 1/20 0.38
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
ESR2 Q92731 2/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4078940 0.83 MEN1 (0.35) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL2417145 0.79 MEN1 (0.44) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8957386 0.75 MEN1 (0.70) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL3304062 0.75 BCHE (0.36) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL2417322 0.75 MEN1 (0.41) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9497805 0.75 KMT2A (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL9497895 0.75 CYP2C19 (0.44) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL2802998 0.75 MEN1 (0.41) MEN1KMT2ACYP2C9ALOX15CYP2C19
Fumaric Acid SCHEMBL9795102 0.74 MEN1 (0.38) MEN1KMT2ACYP2C9ALOX15CYP2C19
SCHEMBL8259935 0.74 ALDH1A1 (0.42) MEN1KMT2ACYP2C9ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641768-B1 NITROXYALKYLAMIDE DERIVATIVE SANKYO CO (JP) 1997-07-23 EP claimed
EP-0641768-A1 NITROXYALKYLAMIDE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 EP claimed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-8703800-B2 Nitrate and diazeniumdiolate derivatives of pioglitazone CARDIOLYNX AG (CH) 2014-04-22 US disclosed
EP-2576545-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE Cardiolynx AG (CH) 2013-04-10 EP disclosed
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2013-03-21 US disclosed
WO-2011151362-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE CARDIOLYNX AG (CH) 2011-12-08 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 MEN1 3997/4885KMT2A 4178/4885CYP2C9 276/4885
US-20130072525-A1 NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE PPARD, NOS2, PPARA MEN1 4198/4885KMT2A 4142/4885CYP2C9 320/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 MEN1 3997/4885KMT2A 4178/4885CYP2C9 276/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 MEN1 3997/4885KMT2A 4178/4885CYP2C9 276/4885

“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.