SCHEMBL7801700

SCHEMBL7801700

O=CCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HIF1A Q16665 1/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
Hexane SCHEMBL9089973 0.91 L3MBTL1 (0.42) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL14696607 0.81 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL6131659 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL174157 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL9810683 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL16896797 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL2160945 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL20487676 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL31303986 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1PKMTAAR1HIF1A
SCHEMBL24728704 0.74 L3MBTL1 (0.47) L3MBTL1ALDH1A1PKMTAAR1HIF1A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
EP-0956016-A4 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS UNIV FLORIDA STATE (US) 2001-11-14 EP disclosed
US-6255495-B1 KILLING HYPOXIC TUMOR CELLS AND TREATING DERMATOLOGICAL DISEASES IN WARM-BLOODED ANIMALS VIA ADMINISTERING RADIOSENSITIZING AMOUNT OF ELECTRON-AFFINIC-DIAMINE FLORIDA STATE UNIVERSITY 2001-07-03 US disclosed
US-6060604-A FOR RADIOTHERAPY TECHNIQUES, INCREASING TUMOR RADIOSENSITIVITY FLORIDA STATE UNIVERSITY (US) 2000-05-09 US disclosed
US-6057453-A OXIDATION, FORMING RADIOSENSITIZING DIAMINES, REDUCTION FLORIDA STATE UNIVERSITY (US) 2000-05-02 US disclosed
EP-0956016-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS Florida State University (US) 1999-11-17 EP disclosed
WO-1998014190-A9 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS 1998-07-30 WO disclosed
WO-1998014190-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS FLORIDA STATE UNIVERSITY (US) 1998-04-09 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 (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-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR L3MBTL1 1177/4885ALDH1A1 88/4885PKM 1322/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR L3MBTL1 854/4885ALDH1A1 105/4885PKM 704/4885

“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.